BAS 12777267
TL;DR: BAS 12777267 (CAS 878431-54-0) is a chemical compound with molecular formula C14H14Cl2N8OS and molecular weight 412.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[[2-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 12777267, BRD-K28722583-001-01-5, A3911/0166325, 2-[[5-[[2-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-((5-((2-(2,4-dichlorobenzyl)-2H-tetrazol-5-yl)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C14H14Cl2N8OS |
|---|---|
| Molecular Weight | 412.04 g/mol |
| LogP | 1.3249 |
| Topological Polar Surface Area | 117.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.03885 |
| Heavy Atoms | 26 |
| Complexity | 940.92725 |
Chemical Identifiers
| CAS Number | 878431-54-0 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N)CC2=NN(N=N2)CC3=C(C=C(C=C3)Cl)Cl |
Product Overview
BAS 12777267 (CAS 878431-54-0), with molecular formula C14H14Cl2N8OS and molecular weight 412.04 g/mol. IUPAC: 2-[[5-[[2-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 12777267
Property Insights of BAS 12777267
The XLogP value of 1.3249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12777267. The TPSA of 117.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12777267. Following Lipinski's Rule of Five, BAS 12777267 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 12777267?
The CAS number of BAS 12777267 is 878431-54-0.
What is the molecular formula of BAS 12777267?
The molecular formula of BAS 12777267 is C14H14Cl2N8OS.
What is the molecular weight of BAS 12777267?
The molecular weight of BAS 12777267 is 412.04 g/mol.
Where can I buy BAS 12777267?
You can request a quote for BAS 12777267 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12777267?
Yes, KEHONG BIO provides custom synthesis services for BAS 12777267 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.