![methyl [(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate structure](/static/products/714/714234-59-0.png)
methyl [(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
TL;DR: methyl [(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate (CAS 714234-59-0) is a chemical compound with molecular formula C13H15N3O4S and molecular weight 309.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamate
Also Known As: methyl (5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)carbamate, methyl N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamate, methyl [(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
| Molecular Formula | C13H15N3O4S |
|---|---|
| Molecular Weight | 309.08 g/mol |
| LogP | 2.3244 |
| Topological Polar Surface Area | 82.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.07834 |
| Heavy Atoms | 21 |
| Complexity | 629.62897 |
Chemical Identifiers
| CAS Number | 714234-59-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)OC)OC |
Product Overview
methyl [(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate (CAS 714234-59-0), with molecular formula C13H15N3O4S and molecular weight 309.08 g/mol. IUPAC: methyl N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamate.
Chemical Property Profile of methyl [(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
Property Insights of methyl [(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
The XLogP value of 2.3244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl [(2Z)-5-(3,4-dimethoxybenzyl)-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 [(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate. Following Lipinski's Rule of Five, methyl [(2Z)-5-(3,4-dimethoxybenzyl)-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 [(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The CAS number of methyl [(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is 714234-59-0.
What is the molecular formula of methyl [(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The molecular formula of methyl [(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is C13H15N3O4S.
What is the molecular weight of methyl [(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The molecular weight of methyl [(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is 309.08 g/mol.
Where can I buy methyl [(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
You can request a quote for methyl [(2Z)-5-(3,4-dimethoxybenzyl)-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 [(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl [(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.