BAS 07231329
TL;DR: BAS 07231329 (CAS 702646-85-3) is a chemical compound with molecular formula C13H18N6O2S2 and molecular weight 354.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: BAS 07231329, 2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide, 2-{[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide, 2-[4-methyl-5-(morpholin-4-ylmethyl)(1,2,4-triazol-3-ylthio)]-N-(1,3-thiazol-2 -yl)acetamide, 2-{[4-methyl-5-(4-morpholinylmethyl)-4H-1,2,4-triazol-3-yl]thio}-N-1,3-thiazol-2-ylacetamide
| Molecular Formula | C13H18N6O2S2 |
|---|---|
| Molecular Weight | 354.09 g/mol |
| LogP | 0.8346 |
| Topological Polar Surface Area | 85.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.09326 |
| Heavy Atoms | 23 |
| Complexity | 638.94037 |
Chemical Identifiers
| CAS Number | 702646-85-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=NC=CS2)CN3CCOCC3 |
Product Overview
BAS 07231329 (CAS 702646-85-3), with molecular formula C13H18N6O2S2 and molecular weight 354.09 g/mol. IUPAC: 2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of BAS 07231329
Property Insights of BAS 07231329
The XLogP value of 0.8346 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07231329. The TPSA of 85.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07231329. Following Lipinski's Rule of Five, BAS 07231329 has 1 hydrogen bond donor(s) and 8 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 07231329?
The CAS number of BAS 07231329 is 702646-85-3.
What is the molecular formula of BAS 07231329?
The molecular formula of BAS 07231329 is C13H18N6O2S2.
What is the molecular weight of BAS 07231329?
The molecular weight of BAS 07231329 is 354.09 g/mol.
Where can I buy BAS 07231329?
You can request a quote for BAS 07231329 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07231329?
Yes, KEHONG BIO provides custom synthesis services for BAS 07231329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.