methyl 2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate
TL;DR: methyl 2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate (CAS 136178-62-6) is a chemical compound with molecular formula C7H9Cl3N4O2 and molecular weight 285.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2,4-trichloro-4-(2-methyltetrazol-5-yl)butanoate
Also Known As: methyl 2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate, methyl 2,2,4-trichloro-4-(2-methyltetrazol-5-yl)butanoate
| Molecular Formula | C7H9Cl3N4O2 |
|---|---|
| Molecular Weight | 285.98 g/mol |
| LogP | 1.227 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.9791 |
| Heavy Atoms | 16 |
| Complexity | 381.46378 |
Chemical Identifiers
| CAS Number | 136178-62-6 |
|---|---|
| SMILES | CN1N=C(N=N1)C(CC(C(=O)OC)(Cl)Cl)Cl |
Product Overview
methyl 2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate (CAS 136178-62-6), with molecular formula C7H9Cl3N4O2 and molecular weight 285.98 g/mol. IUPAC: methyl 2,2,4-trichloro-4-(2-methyltetrazol-5-yl)butanoate.
Chemical Property Profile of methyl 2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate
Property Insights of methyl 2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate
The XLogP value of 1.227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate. Following Lipinski's Rule of Five, methyl 2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate has 0 hydrogen bond donor(s) and 5 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 methyl 2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate?
The CAS number of methyl 2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate is 136178-62-6.
What is the molecular formula of methyl 2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate?
The molecular formula of methyl 2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate is C7H9Cl3N4O2.
What is the molecular weight of methyl 2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate?
The molecular weight of methyl 2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate is 285.98 g/mol.
Where can I buy methyl 2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate?
You can request a quote for methyl 2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2,2,4-trichloro-4-(2-methyl-2H-tetrazol-5-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.