![tert-Butyl N-[(4-benzyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl]carbamate structure](/static/products/3069/306935-43-3.webp)
tert-Butyl N-[(4-benzyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl]carbamate
TL;DR: tert-Butyl N-[(4-benzyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl]carbamate (CAS 306935-43-3) is a chemical compound with molecular formula C15H20N4O2S and molecular weight 320.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamate
Also Known As: Maybridge1_005424, tert-Butyl N-[(4-benzyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl]carbamate, tert-butyl N-[(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamate, 4-Benzyl-5-(N-tert-butoxycarbonylaminomethyl)-1,2,4-triazole-3-thiol, Carbamic acid, N-[[4,5-dihydro-4-(phenylmethyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-, 1,1-dimethylethyl ester
| Molecular Formula | C15H20N4O2S |
|---|---|
| Molecular Weight | 320.13 g/mol |
| LogP | 3.01369 |
| Topological Polar Surface Area | 71.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.1307 |
| Heavy Atoms | 22 |
| Complexity | 685.5583 |
Chemical Identifiers
| CAS Number | 306935-43-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCC1=NNC(=S)N1CC2=CC=CC=C2 |
Product Overview
tert-Butyl N-[(4-benzyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl]carbamate (CAS 306935-43-3), with molecular formula C15H20N4O2S and molecular weight 320.13 g/mol. IUPAC: tert-butyl N-[(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamate.
Chemical Property Profile of tert-Butyl N-[(4-benzyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl]carbamate
Property Insights of tert-Butyl N-[(4-benzyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl]carbamate
The XLogP value of 3.01369 indicates that tert-Butyl N-[(4-benzyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.94 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl N-[(4-benzyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl]carbamate. Following Lipinski's Rule of Five, tert-Butyl N-[(4-benzyl-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-benzyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl]carbamate?
The CAS number of tert-Butyl N-[(4-benzyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl]carbamate is 306935-43-3.
What is the molecular formula of tert-Butyl N-[(4-benzyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl]carbamate?
The molecular formula of tert-Butyl N-[(4-benzyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl]carbamate is C15H20N4O2S.
What is the molecular weight of tert-Butyl N-[(4-benzyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl]carbamate?
The molecular weight of tert-Butyl N-[(4-benzyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl]carbamate is 320.13 g/mol.
Where can I buy tert-Butyl N-[(4-benzyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl]carbamate?
You can request a quote for tert-Butyl N-[(4-benzyl-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-benzyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl N-[(4-benzyl-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.