![methyl [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate structure](/static/products/713/713088-55-2.png)
methyl [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
TL;DR: methyl [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate (CAS 713088-55-2) is a chemical compound with molecular formula C10H8BrN3O2S and molecular weight 312.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]carbamate
Also Known As: methyl N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]carbamate, methyl (5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl)carbamate, methyl [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
| Molecular Formula | C10H8BrN3O2S |
|---|---|
| Molecular Weight | 312.95 g/mol |
| LogP | 3.1459 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.95206 |
| Heavy Atoms | 17 |
| Complexity | 526.60223 |
Chemical Identifiers
| CAS Number | 713088-55-2 |
|---|---|
| SMILES | COC(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br |
Product Overview
methyl [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate (CAS 713088-55-2), with molecular formula C10H8BrN3O2S and molecular weight 312.95 g/mol. IUPAC: methyl N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]carbamate.
Chemical Property Profile of methyl [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
Property Insights of methyl [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
The XLogP value of 3.1459 indicates that methyl [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]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 methyl [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate. Following Lipinski's Rule of Five, methyl [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]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 [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The CAS number of methyl [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is 713088-55-2.
What is the molecular formula of methyl [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The molecular formula of methyl [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is C10H8BrN3O2S.
What is the molecular weight of methyl [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The molecular weight of methyl [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is 312.95 g/mol.
Where can I buy methyl [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
You can request a quote for methyl [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl [(2E)-5-(4-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.