C28H20ClN3O5
TL;DR: C28H20ClN3O5 (CAS 956796-94-4) is a chemical compound with molecular formula C28H20ClN3O5 and molecular weight 513.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10R,11S,15R,16S)-13-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide
Also Known As: (6aR,6bS,9aR,10S)-8-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide, (6aR,6bS,9aR,10S)-8-(benzo[d][1,3]dioxol-5-yl)-N-(4-chlorophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
| Molecular Formula | C28H20ClN3O5 |
|---|---|
| Molecular Weight | 513.11 g/mol |
| LogP | 4.0972 |
| Topological Polar Surface Area | 88.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 513.10913 |
| Heavy Atoms | 37 |
| Complexity | 1503.9073 |
Chemical Identifiers
| CAS Number | 956796-94-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N3C(=O)[C@@H]4[C@H]5C=CC6=CC=CC=C6N5[C@@H]([C@@H]4C3=O)C(=O)NC7=CC=C(C=C7)Cl |
Product Overview
C28H20ClN3O5 (CAS 956796-94-4), with molecular formula C28H20ClN3O5 and molecular weight 513.11 g/mol. IUPAC: (10R,11S,15R,16S)-13-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide.
Chemical Property Profile of C28H20ClN3O5
Property Insights of C28H20ClN3O5
The XLogP value of 4.0972 indicates that C28H20ClN3O5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.18 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H20ClN3O5. Following Lipinski's Rule of Five, C28H20ClN3O5 has 1 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 C28H20ClN3O5?
The CAS number of C28H20ClN3O5 is 956796-94-4.
What is the molecular formula of C28H20ClN3O5?
The molecular formula of C28H20ClN3O5 is C28H20ClN3O5.
What is the molecular weight of C28H20ClN3O5?
The molecular weight of C28H20ClN3O5 is 513.11 g/mol.
Where can I buy C28H20ClN3O5?
You can request a quote for C28H20ClN3O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H20ClN3O5?
Yes, KEHONG BIO provides custom synthesis services for C28H20ClN3O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.