ChemDiv1_025542
TL;DR: ChemDiv1_025542 (CAS 293320-02-2) is a chemical compound with molecular formula C30H28N4O and molecular weight 460.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,10bS)-3-(adamantane-1-carbonyl)-2-pyridin-3-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
Also Known As: ChemDiv1_025542, (10aS,8R,9R)-8-(adamantanylcarbonyl)-9-(3-pyridyl)-7,10a-dihydropyrrolidino[2, 1-a]isoquinoline-10,10-dicarbonitrile, (2R,3R,10bS)-2-(pyridin-3-yl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile, (2R,3R,10bS)-3-((1s,3S)-adamantane-1-carbonyl)-2-(pyridin-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile, (2R,3R,10BS)-3-(1-ADAMANTYLCARBONYL)-1-CYANO-2-(3-PYRIDYL)-2,3-DIHYDROPYRROLO[2,1-A]ISOQUINOLIN-1(10BH)-YL CYANIDE
| Molecular Formula | C30H28N4O |
|---|---|
| Molecular Weight | 460.23 g/mol |
| LogP | 5.39406 |
| Topological Polar Surface Area | 80.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 460.22632 |
| Heavy Atoms | 35 |
| Complexity | 1266.5729 |
Chemical Identifiers
| CAS Number | 293320-02-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)[C@H]4[C@@H](C([C@H]5N4C=CC6=CC=CC=C56)(C#N)C#N)C7=CN=CC=C7 |
Product Overview
ChemDiv1_025542 (CAS 293320-02-2), with molecular formula C30H28N4O and molecular weight 460.23 g/mol. IUPAC: (2R,3R,10bS)-3-(adamantane-1-carbonyl)-2-pyridin-3-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile.
Chemical Property Profile of ChemDiv1_025542
Property Insights of ChemDiv1_025542
The XLogP value of 5.39406 indicates that ChemDiv1_025542 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025542. Following Lipinski's Rule of Five, ChemDiv1_025542 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_025542?
The CAS number of ChemDiv1_025542 is 293320-02-2.
What is the molecular formula of ChemDiv1_025542?
The molecular formula of ChemDiv1_025542 is C30H28N4O.
What is the molecular weight of ChemDiv1_025542?
The molecular weight of ChemDiv1_025542 is 460.23 g/mol.
Where can I buy ChemDiv1_025542?
You can request a quote for ChemDiv1_025542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025542?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.