![2-methylpropyl [(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate structure](/static/products/332/332408-48-7.png)
2-methylpropyl [(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
TL;DR: 2-methylpropyl [(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate (CAS 332408-48-7) is a chemical compound with molecular formula C13H14N4O4S and molecular weight 322.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamate
Also Known As: BAS 00450588, isobutyl (5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)carbamate, [5-(3-Nitro-phenyl)-[1,3,4]thiadiazol-2-yl]-carbamic acid isobutyl ester, 2-methylpropyl N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamate, 2-methylpropyl [(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
| Molecular Formula | C13H14N4O4S |
|---|---|
| Molecular Weight | 322.07 g/mol |
| LogP | 3.3178 |
| Topological Polar Surface Area | 107.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.07358 |
| Heavy Atoms | 22 |
| Complexity | 686.1846 |
Chemical Identifiers
| CAS Number | 332408-48-7 |
|---|---|
| SMILES | CC(C)COC(=O)NC1=NN=C(S1)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
2-methylpropyl [(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate (CAS 332408-48-7), with molecular formula C13H14N4O4S and molecular weight 322.07 g/mol. IUPAC: 2-methylpropyl N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamate.
Chemical Property Profile of 2-methylpropyl [(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
Property Insights of 2-methylpropyl [(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
The XLogP value of 3.3178 indicates that 2-methylpropyl [(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methylpropyl [(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate. Following Lipinski's Rule of Five, 2-methylpropyl [(2E)-5-(3-nitrophenyl)-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 2-methylpropyl [(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The CAS number of 2-methylpropyl [(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is 332408-48-7.
What is the molecular formula of 2-methylpropyl [(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The molecular formula of 2-methylpropyl [(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is C13H14N4O4S.
What is the molecular weight of 2-methylpropyl [(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
The molecular weight of 2-methylpropyl [(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate is 322.07 g/mol.
Where can I buy 2-methylpropyl [(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
You can request a quote for 2-methylpropyl [(2E)-5-(3-nitrophenyl)-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 2-methylpropyl [(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-methylpropyl [(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.