![Tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate structure](/static/products/3069/306935-47-7.webp)
Tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate
TL;DR: Tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate (CAS 306935-47-7) is a chemical compound with molecular formula C12H22N4O2S and molecular weight 286.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamate
Also Known As: Maybridge1_005210, tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate, tert-butyl N-[(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamate, Carbamic acid,[(4-butyl-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-,1,1-dimethylethyl ester (9CI), N-[(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamic acid tert-butyl ester
| Molecular Formula | C12H22N4O2S |
|---|---|
| Molecular Weight | 286.15 g/mol |
| LogP | 2.76549 |
| Topological Polar Surface Area | 71.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.14636 |
| Heavy Atoms | 19 |
| Complexity | 472.80933 |
Chemical Identifiers
| CAS Number | 306935-47-7 |
|---|---|
| SMILES | CCCCN1C(=NNC1=S)CNC(=O)OC(C)(C)C |
Product Overview
Tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate (CAS 306935-47-7), with molecular formula C12H22N4O2S and molecular weight 286.15 g/mol. IUPAC: tert-butyl N-[(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamate.
Chemical Property Profile of Tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate
Property Insights of Tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate
The XLogP value of 2.76549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate. The TPSA of 71.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate. Following Lipinski's Rule of Five, Tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate has 2 hydrogen bond donor(s) and 4 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 Tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate?
The CAS number of Tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate is 306935-47-7.
What is the molecular formula of Tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate?
The molecular formula of Tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate is C12H22N4O2S.
What is the molecular weight of Tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate?
The molecular weight of Tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate is 286.15 g/mol.
Where can I buy Tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate?
You can request a quote for Tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl n-[(4-butyl-5-mercapto-4h-1,2,4-triazol-3-yl)methyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.