BAS 12238993
TL;DR: BAS 12238993 (CAS 728031-33-2) is a chemical compound with molecular formula C15H17N7O2S and molecular weight 359.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: BAS 12238993, A3871/0164482, [(4-ethyl-5-{[5-(4-methylphenyl)-2H-tetrazol-2-yl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid, 2-((4-ethyl-5-((5-(p-tolyl)-2H-tetrazol-2-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, 2-[(4-ethyl-5-{[5-(4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
| Molecular Formula | C15H17N7O2S |
|---|---|
| Molecular Weight | 359.12 g/mol |
| LogP | 1.48492 |
| Topological Polar Surface Area | 111.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.11646 |
| Heavy Atoms | 25 |
| Complexity | 872.39465 |
Chemical Identifiers
| CAS Number | 728031-33-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)O)CN2N=C(N=N2)C3=CC=C(C=C3)C |
Product Overview
BAS 12238993 (CAS 728031-33-2), with molecular formula C15H17N7O2S and molecular weight 359.12 g/mol. IUPAC: 2-[[4-ethyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of BAS 12238993
Property Insights of BAS 12238993
The XLogP value of 1.48492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12238993. The TPSA of 111.61 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12238993. Following Lipinski's Rule of Five, BAS 12238993 has 1 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 12238993?
The CAS number of BAS 12238993 is 728031-33-2.
What is the molecular formula of BAS 12238993?
The molecular formula of BAS 12238993 is C15H17N7O2S.
What is the molecular weight of BAS 12238993?
The molecular weight of BAS 12238993 is 359.12 g/mol.
Where can I buy BAS 12238993?
You can request a quote for BAS 12238993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12238993?
Yes, KEHONG BIO provides custom synthesis services for BAS 12238993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.