![methyl [(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate structure](/static/products/714/714927-34-1.png)
methyl [(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
TL;DR: methyl [(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate (CAS 714927-34-1) is a chemical compound with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]carbamate
Also Known As: methyl (5-phenethyl-1,3,4-thiadiazol-2-yl)carbamate, methyl N-(5-phenethyl-1,3,4-thiadiazol-2-yl)carbamate, methyl [(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
| Molecular Formula | C12H13N3O2S |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.07285 |
| Heavy Atoms | 18 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 714927-34-1 |
|---|---|
| SMILES | COC(=O)NC1=NN=C(S1)CCC2=CC=CC=C2 |
| InChIKey | VGWYFZATBRXEMW-UHFFFAOYSA-N |
Product Overview
methyl [(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate (CAS 714927-34-1), with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol. IUPAC: methyl N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]carbamate.
Chemical Property Profile of methyl [(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
Property Insights of methyl [(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl [(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate. Following Lipinski's Rule of Five, methyl [(2E)-5-(2-phenylethyl)-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-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The CAS number of methyl [(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is 714927-34-1.
What is the molecular formula of methyl [(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The molecular formula of methyl [(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is C12H13N3O2S.
What is the molecular weight of methyl [(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The molecular weight of methyl [(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is 263.07 g/mol.
Where can I buy methyl [(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
You can request a quote for methyl [(2E)-5-(2-phenylethyl)-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-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl [(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.