BAS 10769012
TL;DR: BAS 10769012 (CAS 876718-60-4) is a chemical compound with molecular formula C18H21N7O2S2 and molecular weight 431.12 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-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: BAS 10769012, BRD-K74289695-001-01-3, 2-((4-methyl-5-(morpholinomethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide, 2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide, 2-{[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2Z)-5-phenyl-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
| Molecular Formula | C18H21N7O2S2 |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 1.8966 |
| Topological Polar Surface Area | 98.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.1198 |
| Heavy Atoms | 29 |
| Complexity | 954.28766 |
Chemical Identifiers
| CAS Number | 876718-60-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=NN=C(S2)C3=CC=CC=C3)CN4CCOCC4 |
Product Overview
BAS 10769012 (CAS 876718-60-4), with molecular formula C18H21N7O2S2 and molecular weight 431.12 g/mol. IUPAC: 2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of BAS 10769012
Property Insights of BAS 10769012
The XLogP value of 1.8966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 10769012. The TPSA of 98.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10769012. Following Lipinski's Rule of Five, BAS 10769012 has 1 hydrogen bond donor(s) and 9 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 10769012?
The CAS number of BAS 10769012 is 876718-60-4.
What is the molecular formula of BAS 10769012?
The molecular formula of BAS 10769012 is C18H21N7O2S2.
What is the molecular weight of BAS 10769012?
The molecular weight of BAS 10769012 is 431.12 g/mol.
Where can I buy BAS 10769012?
You can request a quote for BAS 10769012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10769012?
Yes, KEHONG BIO provides custom synthesis services for BAS 10769012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.