BAS 06976253
TL;DR: BAS 06976253 (CAS 670240-89-8) is a chemical compound with molecular formula C17H15N5O4S and molecular weight 385.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]methyl]benzoic acid
Also Known As: BAS 06976253, 3-((2-((1-(4-hydroxyphenyl)-1H-tetrazol-5-yl)thio)acetamido)methyl)benzoic acid, 3-({2-[1-(4-hydroxyphenyl)-1,2,3,4-tetraazol-5-ylthio]acetylamino}methyl)benzo ic acid, 3-[[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]methyl]benzoic acid, 3-{[({[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]methyl}benzoic acid
| Molecular Formula | C17H15N5O4S |
|---|---|
| Molecular Weight | 385.08 g/mol |
| LogP | 1.4746 |
| Topological Polar Surface Area | 130.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 385.08447 |
| Heavy Atoms | 27 |
| Complexity | 957.9674 |
Chemical Identifiers
| CAS Number | 670240-89-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)CNC(=O)CSC2=NN=NN2C3=CC=C(C=C3)O |
Product Overview
BAS 06976253 (CAS 670240-89-8), with molecular formula C17H15N5O4S and molecular weight 385.08 g/mol. IUPAC: 3-[[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]methyl]benzoic acid.
Chemical Property Profile of BAS 06976253
Property Insights of BAS 06976253
The XLogP value of 1.4746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06976253. The TPSA of 130.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06976253. Following Lipinski's Rule of Five, BAS 06976253 has 3 hydrogen bond donor(s) and 7 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 06976253?
The CAS number of BAS 06976253 is 670240-89-8.
What is the molecular formula of BAS 06976253?
The molecular formula of BAS 06976253 is C17H15N5O4S.
What is the molecular weight of BAS 06976253?
The molecular weight of BAS 06976253 is 385.08 g/mol.
Where can I buy BAS 06976253?
You can request a quote for BAS 06976253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06976253?
Yes, KEHONG BIO provides custom synthesis services for BAS 06976253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.