ChemDiv1_025375
TL;DR: ChemDiv1_025375 (CAS 293320-10-2) is a chemical compound with molecular formula C32H31N3OS and molecular weight 505.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3aR)-1-(adamantane-1-carbonyl)-2-(4-methylsulfanylphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: ChemDiv1_025375, A1713/0073007, 1-(1-adamantylcarbonyl)-2-[4-(methylsulfanyl)phenyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2S,3aR)-1-(adamantane-1-carbonyl)-2-(4-methylsulfanylphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, (1S,2S,3aR)-1-((3S,5S,7S)-adamantane-1-carbonyl)-2-(4-(methylthio)phenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C32H31N3OS |
|---|---|
| Molecular Weight | 505.22 g/mol |
| LogP | 6.59536 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 505.21878 |
| Heavy Atoms | 37 |
| Complexity | 1330.6945 |
Chemical Identifiers
| CAS Number | 293320-10-2 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)[C@@H]2[C@H](N3[C@@H](C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C56CC7CC(C5)CC(C7)C6 |
Product Overview
ChemDiv1_025375 (CAS 293320-10-2), with molecular formula C32H31N3OS and molecular weight 505.22 g/mol. IUPAC: (1S,2S,3aR)-1-(adamantane-1-carbonyl)-2-(4-methylsulfanylphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of ChemDiv1_025375
Property Insights of ChemDiv1_025375
The XLogP value of 6.59536 indicates that ChemDiv1_025375 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025375. Following Lipinski's Rule of Five, ChemDiv1_025375 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_025375?
The CAS number of ChemDiv1_025375 is 293320-10-2.
What is the molecular formula of ChemDiv1_025375?
The molecular formula of ChemDiv1_025375 is C32H31N3OS.
What is the molecular weight of ChemDiv1_025375?
The molecular weight of ChemDiv1_025375 is 505.22 g/mol.
Where can I buy ChemDiv1_025375?
You can request a quote for ChemDiv1_025375 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025375?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025375 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.