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Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate
TL;DR: Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate (CAS 439095-25-7) 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.
benzyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate
Also Known As: Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate, benzyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate, benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]carbamate, 3661AE, Benzyl (2-methyl-1-(phenylsulfonyl)propyl)carbamate
| Molecular Formula | C18H21NO4S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 3.3688 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.11914 |
| Heavy Atoms | 24 |
| Complexity | 758.1205 |
Chemical Identifiers
| CAS Number | 439095-25-7 |
|---|---|
| SMILES | CC(C)C(NC(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate (CAS 439095-25-7), with molecular formula C18H21NO4S and molecular weight 347.12 g/mol. IUPAC: benzyl N-[1-(benzenesulfonyl)-2-methylpropyl]carbamate.
Chemical Property Profile of Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate
Property Insights of Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate
The XLogP value of 3.3688 indicates that Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate 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 Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate. Following Lipinski's Rule of Five, Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate 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 Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate?
The CAS number of Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate is 439095-25-7.
What is the molecular formula of Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate?
The molecular formula of Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate is C18H21NO4S.
What is the molecular weight of Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate?
The molecular weight of Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate is 347.12 g/mol.
Where can I buy Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate?
You can request a quote for Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl N-[2-methyl-1-(phenylsulfonyl)propyl]-carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.