ChemDiv2_005010
TL;DR: ChemDiv2_005010 (CAS 5996-11-2) is a chemical compound with molecular formula C13H9Cl2N3S and molecular weight 308.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
Also Known As: ChemDiv2_005010, IDI1_003725, BIM-0001485.P001, AB01288317-01, 2-[(3,4-dichlorobenzyl)thio]-3H-imidazo[4,5-b]pyridine
| Molecular Formula | C13H9Cl2N3S |
|---|---|
| Molecular Weight | 308.99 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.9894 |
| Heavy Atoms | 19 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 5996-11-2 |
|---|---|
| SMILES | C1=CC2=C(N=C1)N=C(N2)SCC3=CC(=C(C=C3)Cl)Cl |
| InChIKey | BXTYOBIAJYNWLM-UHFFFAOYSA-N |
Product Overview
ChemDiv2_005010 (CAS 5996-11-2), with molecular formula C13H9Cl2N3S and molecular weight 308.99 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine.
Chemical Property Profile of ChemDiv2_005010
Property Insights of ChemDiv2_005010
The XLogP value of 4.3 indicates that ChemDiv2_005010 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005010. Following Lipinski's Rule of Five, ChemDiv2_005010 has 1 hydrogen bond donor(s) and 3 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 ChemDiv2_005010?
The CAS number of ChemDiv2_005010 is 5996-11-2.
What is the molecular formula of ChemDiv2_005010?
The molecular formula of ChemDiv2_005010 is C13H9Cl2N3S.
What is the molecular weight of ChemDiv2_005010?
The molecular weight of ChemDiv2_005010 is 308.99 g/mol.
Where can I buy ChemDiv2_005010?
You can request a quote for ChemDiv2_005010 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005010?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005010 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.