(Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester
TL;DR: (Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester (CAS 155396-71-7) is a chemical compound with molecular formula C18H21NO4S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[benzenesulfonyl(phenyl)methyl]carbamate
Also Known As: N-Boc-, A-(phenylsulfonyl)benzylamine, tert-Butyl (phenyl(phenylsulfonyl)methyl)carbamate, N-Boc-alpha-(phenylsulfonyl)benzylamine, (Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester
| Molecular Formula | C18H21NO4S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 3.6838 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.11914 |
| Heavy Atoms | 24 |
| Complexity | 780.7734 |
Chemical Identifiers
| CAS Number | 155396-71-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
(Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester (CAS 155396-71-7), with molecular formula C18H21NO4S and molecular weight 347.12 g/mol. IUPAC: tert-butyl N-[benzenesulfonyl(phenyl)methyl]carbamate.
Chemical Property Profile of (Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester
Property Insights of (Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester
The XLogP value of 3.6838 indicates that (Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester. Following Lipinski's Rule of Five, (Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester has 1 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 (Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester?
The CAS number of (Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester is 155396-71-7.
What is the molecular formula of (Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester?
The molecular formula of (Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester is C18H21NO4S.
What is the molecular weight of (Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester?
The molecular weight of (Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester is 347.12 g/mol.
Where can I buy (Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester?
You can request a quote for (Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for (Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.