![methyl [(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate structure](/static/products/714/714227-94-8.png)
methyl [(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
TL;DR: methyl [(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate (CAS 714227-94-8) is a chemical compound with molecular formula C12H13N3O4S and molecular weight 295.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate
Also Known As: methyl (5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)carbamate, methyl N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate, methyl [(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
| Molecular Formula | C12H13N3O4S |
|---|---|
| Molecular Weight | 295.06 g/mol |
| LogP | 2.4006 |
| Topological Polar Surface Area | 82.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.06268 |
| Heavy Atoms | 20 |
| Complexity | 614.49994 |
Chemical Identifiers
| CAS Number | 714227-94-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)OC)OC |
Product Overview
methyl [(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate (CAS 714227-94-8), with molecular formula C12H13N3O4S and molecular weight 295.06 g/mol. IUPAC: methyl N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate.
Chemical Property Profile of methyl [(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
Property Insights of methyl [(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
The XLogP value of 2.4006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl [(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate. The TPSA of 82.57 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate. Following Lipinski's Rule of Five, methyl [(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate has 1 hydrogen bond donor(s) and 7 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-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The CAS number of methyl [(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is 714227-94-8.
What is the molecular formula of methyl [(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The molecular formula of methyl [(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is C12H13N3O4S.
What is the molecular weight of methyl [(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The molecular weight of methyl [(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is 295.06 g/mol.
Where can I buy methyl [(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
You can request a quote for methyl [(2E)-5-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl [(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.