![Dibutyl n-[(4-methylphenyl)sulfonyl]aspartate structure](/static/products/6314/63144-70-7.webp)
Dibutyl n-[(4-methylphenyl)sulfonyl]aspartate
TL;DR: Dibutyl n-[(4-methylphenyl)sulfonyl]aspartate (CAS 63144-70-7) is a chemical compound with molecular formula C19H29NO6S and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl 2-[(4-methylphenyl)sulfonylamino]butanedioate
Also Known As: dibutyl n-[(4-methylphenyl)sulfonyl]aspartate, 2-(Tosylamino)succinic acid dibutyl ester, J3.147.267I, Dibutyl N-(4-methylbenzene-1-sulfonyl)aspartate, dibutyl 2-[(4-methylphenyl)sulfonylamino]butanedioate
| Molecular Formula | C19H29NO6S |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 399.17157 |
| Heavy Atoms | 27 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 63144-70-7 |
|---|---|
| SMILES | CCCCOC(=O)CC(C(=O)OCCCC)NS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | VDDKBRLGEMPLKQ-UHFFFAOYSA-N |
Product Overview
Dibutyl n-[(4-methylphenyl)sulfonyl]aspartate (CAS 63144-70-7), with molecular formula C19H29NO6S and molecular weight 399.17 g/mol. IUPAC: dibutyl 2-[(4-methylphenyl)sulfonylamino]butanedioate.
Chemical Property Profile of Dibutyl n-[(4-methylphenyl)sulfonyl]aspartate
Property Insights of Dibutyl n-[(4-methylphenyl)sulfonyl]aspartate
The XLogP value of 3.5 indicates that Dibutyl n-[(4-methylphenyl)sulfonyl]aspartate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibutyl n-[(4-methylphenyl)sulfonyl]aspartate. Following Lipinski's Rule of Five, Dibutyl n-[(4-methylphenyl)sulfonyl]aspartate has 1 hydrogen bond donor(s) and 7 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 Dibutyl n-[(4-methylphenyl)sulfonyl]aspartate?
The CAS number of Dibutyl n-[(4-methylphenyl)sulfonyl]aspartate is 63144-70-7.
What is the molecular formula of Dibutyl n-[(4-methylphenyl)sulfonyl]aspartate?
The molecular formula of Dibutyl n-[(4-methylphenyl)sulfonyl]aspartate is C19H29NO6S.
What is the molecular weight of Dibutyl n-[(4-methylphenyl)sulfonyl]aspartate?
The molecular weight of Dibutyl n-[(4-methylphenyl)sulfonyl]aspartate is 399.17 g/mol.
Where can I buy Dibutyl n-[(4-methylphenyl)sulfonyl]aspartate?
You can request a quote for Dibutyl n-[(4-methylphenyl)sulfonyl]aspartate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl n-[(4-methylphenyl)sulfonyl]aspartate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl n-[(4-methylphenyl)sulfonyl]aspartate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.