![benzyl N-{1-[(4-methylphenyl)sulfonyl]heptyl}carbamate structure](/static/products/4390/439096-73-8.webp)
benzyl N-{1-[(4-methylphenyl)sulfonyl]heptyl}carbamate
TL;DR: benzyl N-{1-[(4-methylphenyl)sulfonyl]heptyl}carbamate (CAS 439096-73-8) is a chemical compound with molecular formula C22H29NO4S and molecular weight 403.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[1-(4-methylphenyl)sulfonylheptyl]carbamate
Also Known As: benzyl N-{1-[(4-methylphenyl)sulfonyl]heptyl}carbamate, benzyl N-[1-(4-methylphenyl)sulfonylheptyl]carbamate, 2T-0333, benzyl N-[1-(4-methylbenzenesulfonyl)heptyl]carbamate
| Molecular Formula | C22H29NO4S |
|---|---|
| Molecular Weight | 403.18 g/mol |
| LogP | 4.99162 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 403.18173 |
| Heavy Atoms | 28 |
| Complexity | 832.6003 |
Chemical Identifiers
| CAS Number | 439096-73-8 |
|---|---|
| SMILES | CCCCCCC(NC(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C |
Product Overview
benzyl N-{1-[(4-methylphenyl)sulfonyl]heptyl}carbamate (CAS 439096-73-8), with molecular formula C22H29NO4S and molecular weight 403.18 g/mol. IUPAC: benzyl N-[1-(4-methylphenyl)sulfonylheptyl]carbamate.
Chemical Property Profile of benzyl N-{1-[(4-methylphenyl)sulfonyl]heptyl}carbamate
Property Insights of benzyl N-{1-[(4-methylphenyl)sulfonyl]heptyl}carbamate
The XLogP value of 4.99162 indicates that benzyl N-{1-[(4-methylphenyl)sulfonyl]heptyl}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-{1-[(4-methylphenyl)sulfonyl]heptyl}carbamate. Following Lipinski's Rule of Five, benzyl N-{1-[(4-methylphenyl)sulfonyl]heptyl}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-{1-[(4-methylphenyl)sulfonyl]heptyl}carbamate?
The CAS number of benzyl N-{1-[(4-methylphenyl)sulfonyl]heptyl}carbamate is 439096-73-8.
What is the molecular formula of benzyl N-{1-[(4-methylphenyl)sulfonyl]heptyl}carbamate?
The molecular formula of benzyl N-{1-[(4-methylphenyl)sulfonyl]heptyl}carbamate is C22H29NO4S.
What is the molecular weight of benzyl N-{1-[(4-methylphenyl)sulfonyl]heptyl}carbamate?
The molecular weight of benzyl N-{1-[(4-methylphenyl)sulfonyl]heptyl}carbamate is 403.18 g/mol.
Where can I buy benzyl N-{1-[(4-methylphenyl)sulfonyl]heptyl}carbamate?
You can request a quote for benzyl N-{1-[(4-methylphenyl)sulfonyl]heptyl}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-{1-[(4-methylphenyl)sulfonyl]heptyl}carbamate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-{1-[(4-methylphenyl)sulfonyl]heptyl}carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.