![tert-Butyl N-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]carbamate structure](/static/products/3069/306935-45-5.webp)
tert-Butyl N-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]carbamate
TL;DR: tert-Butyl N-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]carbamate (CAS 306935-45-5) is a chemical compound with molecular formula C14H18N4O2S and molecular weight 306.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamate
Also Known As: Maybridge1_005122, tert-Butyl N-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]carbamate, 2-(4-Bromophenyl)thiazole-4-carbaldehyde, KM 10565, J2.190.267E
| Molecular Formula | C14H18N4O2S |
|---|---|
| Molecular Weight | 306.12 g/mol |
| LogP | 2.95459 |
| Topological Polar Surface Area | 71.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.11505 |
| Heavy Atoms | 21 |
| Complexity | 670.2727 |
Chemical Identifiers
| CAS Number | 306935-45-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCC1=NNC(=S)N1C2=CC=CC=C2 |
Product Overview
tert-Butyl N-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]carbamate (CAS 306935-45-5), with molecular formula C14H18N4O2S and molecular weight 306.12 g/mol. IUPAC: tert-butyl N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamate.
Chemical Property Profile of tert-Butyl N-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]carbamate
Property Insights of tert-Butyl N-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]carbamate
The XLogP value of 2.95459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl N-[(5-mercapto-4-phenyl-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-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]carbamate. Following Lipinski's Rule of Five, tert-Butyl N-[(5-mercapto-4-phenyl-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-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]carbamate?
The CAS number of tert-Butyl N-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]carbamate is 306935-45-5.
What is the molecular formula of tert-Butyl N-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]carbamate?
The molecular formula of tert-Butyl N-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]carbamate is C14H18N4O2S.
What is the molecular weight of tert-Butyl N-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]carbamate?
The molecular weight of tert-Butyl N-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]carbamate is 306.12 g/mol.
Where can I buy tert-Butyl N-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]carbamate?
You can request a quote for tert-Butyl N-[(5-mercapto-4-phenyl-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-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl N-[(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.