![Methyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate structure](/static/products/713/713092-57-0.png)
Methyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate
TL;DR: Methyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate (CAS 713092-57-0) is a chemical compound with molecular formula C11H10ClN3O2S and molecular weight 283.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamate
Also Known As: methyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate, methyl (5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)carbamate, [5-(4-Chloro-benzyl)-[1,3,4]thiadiazol-2-yl]-carbamic acid methyl ester, methyl [(2Z)-5-(4-chlorobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate, methyl N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamate
| Molecular Formula | C11H10ClN3O2S |
|---|---|
| Molecular Weight | 283.02 g/mol |
| LogP | 2.9606 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.01822 |
| Heavy Atoms | 18 |
| Complexity | 541.47626 |
Chemical Identifiers
| CAS Number | 713092-57-0 |
|---|---|
| SMILES | COC(=O)NC1=NN=C(S1)CC2=CC=C(C=C2)Cl |
Product Overview
Methyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate (CAS 713092-57-0), with molecular formula C11H10ClN3O2S and molecular weight 283.02 g/mol. IUPAC: methyl N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamate.
Chemical Property Profile of Methyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate
Property Insights of Methyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate
The XLogP value of 2.9606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate. Following Lipinski's Rule of Five, Methyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate has 1 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 [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate?
The CAS number of Methyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate is 713092-57-0.
What is the molecular formula of Methyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate?
The molecular formula of Methyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate is C11H10ClN3O2S.
What is the molecular weight of Methyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate?
The molecular weight of Methyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate is 283.02 g/mol.
Where can I buy Methyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate?
You can request a quote for Methyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.