![2-methylpropyl [(2E)-5-(2-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate structure](/static/products/714/714239-60-8.png)
2-methylpropyl [(2E)-5-(2-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
TL;DR: 2-methylpropyl [(2E)-5-(2-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate (CAS 714239-60-8) is a chemical compound with molecular formula C13H14BrN3O2S and molecular weight 355.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl N-[5-(2-bromophenyl)-1,3,4-thiadiazol-2-yl]carbamate
Also Known As: isobutyl (5-(2-bromophenyl)-1,3,4-thiadiazol-2-yl)carbamate, 2-methylpropyl N-[5-(2-bromophenyl)-1,3,4-thiadiazol-2-yl]carbamate, 2-methylpropyl [(2E)-5-(2-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
| Molecular Formula | C13H14BrN3O2S |
|---|---|
| Molecular Weight | 355.00 g/mol |
| LogP | 4.1721 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.99902 |
| Heavy Atoms | 20 |
| Complexity | 600.8071 |
Chemical Identifiers
| CAS Number | 714239-60-8 |
|---|---|
| SMILES | CC(C)COC(=O)NC1=NN=C(S1)C2=CC=CC=C2Br |
Product Overview
2-methylpropyl [(2E)-5-(2-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate (CAS 714239-60-8), with molecular formula C13H14BrN3O2S and molecular weight 355.00 g/mol. IUPAC: 2-methylpropyl N-[5-(2-bromophenyl)-1,3,4-thiadiazol-2-yl]carbamate.
Chemical Property Profile of 2-methylpropyl [(2E)-5-(2-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
Property Insights of 2-methylpropyl [(2E)-5-(2-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
The XLogP value of 4.1721 indicates that 2-methylpropyl [(2E)-5-(2-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 2-methylpropyl [(2E)-5-(2-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate. Following Lipinski's Rule of Five, 2-methylpropyl [(2E)-5-(2-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 2-methylpropyl [(2E)-5-(2-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The CAS number of 2-methylpropyl [(2E)-5-(2-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is 714239-60-8.
What is the molecular formula of 2-methylpropyl [(2E)-5-(2-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The molecular formula of 2-methylpropyl [(2E)-5-(2-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is C13H14BrN3O2S.
What is the molecular weight of 2-methylpropyl [(2E)-5-(2-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The molecular weight of 2-methylpropyl [(2E)-5-(2-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is 355.00 g/mol.
Where can I buy 2-methylpropyl [(2E)-5-(2-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
You can request a quote for 2-methylpropyl [(2E)-5-(2-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 2-methylpropyl [(2E)-5-(2-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-methylpropyl [(2E)-5-(2-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.