![(6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione structure](/static/products/958/958951-14-9.png)
(6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
TL;DR: (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione (CAS 958951-14-9) is a chemical compound with molecular formula C29H21ClN2O5 and molecular weight 512.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10S,11R,15S,16R)-13-(1,3-benzodioxol-5-yl)-16-benzoyl-5-chloro-8-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
Also Known As: (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione, (6aS,6bR,9aS,10R)-8-(benzo[d][1,3]dioxol-5-yl)-10-benzoyl-3-chloro-5-methyl-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione, (6aS,6bR,9aS,10R)-8-Benzo[1,3]dioxol-5-yl-10-benzoyl-3-chloro-5-methyl-6a,6b,9a,10-tetrahydro-pyrr olo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9-dione
| Molecular Formula | C29H21ClN2O5 |
|---|---|
| Molecular Weight | 512.11 g/mol |
| LogP | 4.7315 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 512.1139 |
| Heavy Atoms | 37 |
| Complexity | 1534.5016 |
Chemical Identifiers
| CAS Number | 958951-14-9 |
|---|---|
| SMILES | CC1=C[C@H]2[C@H]3[C@@H]([C@@H](N2C4=C1C=C(C=C4)Cl)C(=O)C5=CC=CC=C5)C(=O)N(C3=O)C6=CC7=C(C=C6)OCO7 |
Product Overview
(6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione (CAS 958951-14-9), with molecular formula C29H21ClN2O5 and molecular weight 512.11 g/mol. IUPAC: (10S,11R,15S,16R)-13-(1,3-benzodioxol-5-yl)-16-benzoyl-5-chloro-8-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione.
Chemical Property Profile of (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Property Insights of (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
The XLogP value of 4.7315 indicates that (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione. Following Lipinski's Rule of Five, (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione?
The CAS number of (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione is 958951-14-9.
What is the molecular formula of (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione?
The molecular formula of (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione is C29H21ClN2O5.
What is the molecular weight of (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione?
The molecular weight of (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione is 512.11 g/mol.
Where can I buy (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione?
You can request a quote for (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.