BAS 01808850
TL;DR: BAS 01808850 (CAS 315205-49-3) is a chemical compound with molecular formula C17H14N4O3S and molecular weight 354.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoic acid
Also Known As: BAS 01808850, AS-871/40722565, 4-[(E)-{2-[(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid, 4-((E)-{[(1H-benzimidazol-2-ylthio)acetyl]hydrazono}methyl)benzoic acid, 4-[(1E)-2-(2-benzimidazol-2-ylthioacetylamino)-2-azavinyl]benzoic acid
| Molecular Formula | C17H14N4O3S |
|---|---|
| Molecular Weight | 354.08 g/mol |
| LogP | 2.5035 |
| Topological Polar Surface Area | 107.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.07867 |
| Heavy Atoms | 25 |
| Complexity | 901.47577 |
Chemical Identifiers
| CAS Number | 315205-49-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC(=O)N/N=C/C3=CC=C(C=C3)C(=O)O |
Product Overview
BAS 01808850 (CAS 315205-49-3), with molecular formula C17H14N4O3S and molecular weight 354.08 g/mol. IUPAC: 4-[(E)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoic acid.
Chemical Property Profile of BAS 01808850
Property Insights of BAS 01808850
The XLogP value of 2.5035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01808850. The TPSA of 107.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01808850. Following Lipinski's Rule of Five, BAS 01808850 has 3 hydrogen bond donor(s) and 5 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 BAS 01808850?
The CAS number of BAS 01808850 is 315205-49-3.
What is the molecular formula of BAS 01808850?
The molecular formula of BAS 01808850 is C17H14N4O3S.
What is the molecular weight of BAS 01808850?
The molecular weight of BAS 01808850 is 354.08 g/mol.
Where can I buy BAS 01808850?
You can request a quote for BAS 01808850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01808850?
Yes, KEHONG BIO provides custom synthesis services for BAS 01808850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.