![Ethyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate structure](/static/products/757/757228-29-8.png)
Ethyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate
TL;DR: Ethyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate (CAS 757228-29-8) is a chemical compound with molecular formula C12H12ClN3O2S and molecular weight 297.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamate
Also Known As: ethyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate, ethyl N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamate, ETHYL N-{5-[(4-CHLOROPHENYL)METHYL]-1,3,4-THIADIAZOL-2-YL}CARBAMATE
| Molecular Formula | C12H12ClN3O2S |
|---|---|
| Molecular Weight | 297.03 g/mol |
| LogP | 3.3507 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.03387 |
| Heavy Atoms | 19 |
| Complexity | 556.35706 |
Chemical Identifiers
| CAS Number | 757228-29-8 |
|---|---|
| SMILES | CCOC(=O)NC1=NN=C(S1)CC2=CC=C(C=C2)Cl |
Product Overview
Ethyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate (CAS 757228-29-8), with molecular formula C12H12ClN3O2S and molecular weight 297.03 g/mol. IUPAC: ethyl N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamate.
Chemical Property Profile of Ethyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate
Property Insights of Ethyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate
The XLogP value of 3.3507 indicates that Ethyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate. Following Lipinski's Rule of Five, Ethyl [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 Ethyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate?
The CAS number of Ethyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate is 757228-29-8.
What is the molecular formula of Ethyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate?
The molecular formula of Ethyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate is C12H12ClN3O2S.
What is the molecular weight of Ethyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate?
The molecular weight of Ethyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate is 297.03 g/mol.
Where can I buy Ethyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate?
You can request a quote for Ethyl [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 Ethyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.