isobutyl (5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)carbamate
TL;DR: isobutyl (5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)carbamate (CAS 714919-20-7) is a chemical compound with molecular formula C16H21N3O4S and molecular weight 351.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamate
Also Known As: isobutyl (5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)carbamate, 2-methylpropyl [(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate, 2-methylpropyl N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamate
| Molecular Formula | C16H21N3O4S |
|---|---|
| Molecular Weight | 351.13 g/mol |
| LogP | 3.3506 |
| Topological Polar Surface Area | 82.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.12527 |
| Heavy Atoms | 24 |
| Complexity | 687.7121 |
Chemical Identifiers
| CAS Number | 714919-20-7 |
|---|---|
| SMILES | CC(C)COC(=O)NC1=NN=C(S1)CC2=CC(=C(C=C2)OC)OC |
Product Overview
isobutyl (5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)carbamate (CAS 714919-20-7), with molecular formula C16H21N3O4S and molecular weight 351.13 g/mol. IUPAC: 2-methylpropyl N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamate.
Chemical Property Profile of isobutyl (5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)carbamate
Property Insights of isobutyl (5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)carbamate
The XLogP value of 3.3506 indicates that isobutyl (5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.57 Ų falls within the moderate polarity range, balancing permeability and solubility for isobutyl (5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)carbamate. Following Lipinski's Rule of Five, isobutyl (5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)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 isobutyl (5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)carbamate?
The CAS number of isobutyl (5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)carbamate is 714919-20-7.
What is the molecular formula of isobutyl (5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)carbamate?
The molecular formula of isobutyl (5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)carbamate is C16H21N3O4S.
What is the molecular weight of isobutyl (5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)carbamate?
The molecular weight of isobutyl (5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)carbamate is 351.13 g/mol.
Where can I buy isobutyl (5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)carbamate?
You can request a quote for isobutyl (5-(3,4-dimethoxybenzyl)-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 isobutyl (5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for isobutyl (5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.