![Methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate structure](/static/products/899/899015-27-1.png)
Methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate
TL;DR: Methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate (CAS 899015-27-1) is a chemical compound with molecular formula C13H19NO4S and molecular weight 285.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(butylsulfonylamino)-4-methylbenzoate
Also Known As: methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate, methyl 3-(butylsulfonamido)-4-methylbenzoate, methyl 3-(butylsulfonylamino)-4-methylbenzoate, Methyl 3-(butylsulfonylamino)-4-methyl-benzoate
| Molecular Formula | C13H19NO4S |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 2.32342 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.1035 |
| Heavy Atoms | 19 |
| Complexity | 551.76166 |
Chemical Identifiers
| CAS Number | 899015-27-1 |
|---|---|
| SMILES | CCCCS(=O)(=O)NC1=C(C=CC(=C1)C(=O)OC)C |
Product Overview
Methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate (CAS 899015-27-1), with molecular formula C13H19NO4S and molecular weight 285.10 g/mol. IUPAC: methyl 3-(butylsulfonylamino)-4-methylbenzoate.
Chemical Property Profile of Methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate
Property Insights of Methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate
The XLogP value of 2.32342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate. Following Lipinski's Rule of Five, Methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate 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 Methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate?
The CAS number of Methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate is 899015-27-1.
What is the molecular formula of Methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate?
The molecular formula of Methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate is C13H19NO4S.
What is the molecular weight of Methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate?
The molecular weight of Methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate is 285.10 g/mol.
Where can I buy Methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate?
You can request a quote for Methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(butylsulfonyl)amino]-4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.