ChemDiv3_006651
TL;DR: ChemDiv3_006651 (CAS 670240-55-8) is a chemical compound with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
Also Known As: ChemDiv3_006651, CBKinase1_005196, CBKinase1_017596, BAS 07100342, IDI1_024561
| Molecular Formula | C22H18N2O3S |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 4.3354 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.10382 |
| Heavy Atoms | 28 |
| Complexity | 1003.7117 |
Chemical Identifiers
| CAS Number | 670240-55-8 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC4=C(C=CC=N4)C(=O)O |
Product Overview
ChemDiv3_006651 (CAS 670240-55-8), with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol. IUPAC: 2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of ChemDiv3_006651
Property Insights of ChemDiv3_006651
The XLogP value of 4.3354 indicates that ChemDiv3_006651 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006651. Following Lipinski's Rule of Five, ChemDiv3_006651 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_006651?
The CAS number of ChemDiv3_006651 is 670240-55-8.
What is the molecular formula of ChemDiv3_006651?
The molecular formula of ChemDiv3_006651 is C22H18N2O3S.
What is the molecular weight of ChemDiv3_006651?
The molecular weight of ChemDiv3_006651 is 390.10 g/mol.
Where can I buy ChemDiv3_006651?
You can request a quote for ChemDiv3_006651 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006651?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006651 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.