A3911/0166371
TL;DR: A3911/0166371 (CAS 889951-85-3) is a chemical compound with molecular formula C14H12Cl2N8S and molecular weight 394.03 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]acetonitrile
Also Known As: A3911/0166371, 2-[[5-[[2-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile, [(5-{[2-(2,4-DICHLOROBENZYL)-2H-1,2,3,4-TETRAAZOL-5-YL]METHYL}-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]METHYL CYANIDE, [(5-{[2-(2,4-dichlorobenzyl)-2H-tetrazol-5-yl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetonitrile, 2-((5-((2-(2,4-dichlorobenzyl)-2H-tetrazol-5-yl)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetonitrile
| Molecular Formula | C14H12Cl2N8S |
|---|---|
| Molecular Weight | 394.03 g/mol |
| LogP | 2.36318 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.02826 |
| Heavy Atoms | 25 |
| Complexity | 929.3025 |
Chemical Identifiers
| CAS Number | 889951-85-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC#N)CC2=NN(N=N2)CC3=C(C=C(C=C3)Cl)Cl |
Product Overview
A3911/0166371 (CAS 889951-85-3), with molecular formula C14H12Cl2N8S and molecular weight 394.03 g/mol. IUPAC: 2-[[5-[[2-[(2,4-dichlorophenyl)methyl]tetrazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile.
Chemical Property Profile of A3911/0166371
Property Insights of A3911/0166371
The XLogP value of 2.36318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3911/0166371. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for A3911/0166371. Following Lipinski's Rule of Five, A3911/0166371 has 0 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 A3911/0166371?
The CAS number of A3911/0166371 is 889951-85-3.
What is the molecular formula of A3911/0166371?
The molecular formula of A3911/0166371 is C14H12Cl2N8S.
What is the molecular weight of A3911/0166371?
The molecular weight of A3911/0166371 is 394.03 g/mol.
Where can I buy A3911/0166371?
You can request a quote for A3911/0166371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3911/0166371?
Yes, KEHONG BIO provides custom synthesis services for A3911/0166371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.