(E)-methyl (5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)carbamate
TL;DR: (E)-methyl (5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)carbamate (CAS 1164548-33-7) is a chemical compound with molecular formula C13H13N3O3S and molecular weight 291.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]carbamate
Also Known As: (E)-methyl (5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)carbamate, {5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-carbamic acid methyl ester, methyl [(2E)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2(3H)-ylidene]carbamate, methyl N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]carbamate
| Molecular Formula | C13H13N3O3S |
|---|---|
| Molecular Weight | 291.07 g/mol |
| LogP | 2.8954 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.06775 |
| Heavy Atoms | 20 |
| Complexity | 607.57886 |
Chemical Identifiers
| CAS Number | 1164548-33-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/C2=NN=C(S2)NC(=O)OC |
Product Overview
(E)-methyl (5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)carbamate (CAS 1164548-33-7), with molecular formula C13H13N3O3S and molecular weight 291.07 g/mol. IUPAC: methyl N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]carbamate.
Chemical Property Profile of (E)-methyl (5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)carbamate
Property Insights of (E)-methyl (5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)carbamate
The XLogP value of 2.8954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl (5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)carbamate. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl (5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)carbamate. Following Lipinski's Rule of Five, (E)-methyl (5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)carbamate has 1 hydrogen bond donor(s) and 6 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 (E)-methyl (5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)carbamate?
The CAS number of (E)-methyl (5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)carbamate is 1164548-33-7.
What is the molecular formula of (E)-methyl (5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)carbamate?
The molecular formula of (E)-methyl (5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)carbamate is C13H13N3O3S.
What is the molecular weight of (E)-methyl (5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)carbamate?
The molecular weight of (E)-methyl (5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)carbamate is 291.07 g/mol.
Where can I buy (E)-methyl (5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)carbamate?
You can request a quote for (E)-methyl (5-(4-methoxystyryl)-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 (E)-methyl (5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl (5-(4-methoxystyryl)-1,3,4-thiadiazol-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.