4-((4-氨基-3-甲基苯基)丁氨基)丁烷-1-磺酸
TL;DR: 4-((4-氨基-3-甲基苯基)丁氨基)丁烷-1-磺酸 (CAS 16318-87-9) is a chemical compound with molecular formula C15H26N2O3S and molecular weight 314.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-((4-氨基-3-甲基苯基)丁氨基)丁烷-1-磺酸
4-(4-amino-N-butyl-3-methylanilino)butane-1-sulfonic acid
Also Known As: 4-((4-Amino-m-tolyl)butylamino)butane-1-sulphonic acid, 4-[(4-amino-m-tolyl)butylamino]butane-1-sulphonic acid, 4-(4-amino-N-butyl-3-methylanilino)butane-1-sulfonic acid, 4-[(4-Amino-m-tolyl)butylamino]butane-1-sulfonic acid, 4-[Butyl-(4-sulfo-butyl)-amino]-2-methyl-anilin
| Molecular Formula | C15H26N2O3S |
|---|---|
| Molecular Weight | 314.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 314.1664 |
| Heavy Atoms | 21 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 16318-87-9 |
|---|---|
| SMILES | CCCCN(CCCCS(=O)(=O)O)C1=CC(=C(C=C1)N)C |
| InChIKey | QTAOWEXRKVVCES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((4-氨基-3-甲基苯基)丁氨基)丁烷-1-磺酸 (CAS 16318-87-9), with molecular formula C15H26N2O3S and molecular weight 314.17 g/mol. IUPAC: 4-(4-amino-N-butyl-3-methylanilino)butane-1-sulfonic acid.
Chemical Property Profile of 4-((4-氨基-3-甲基苯基)丁氨基)丁烷-1-磺酸
Property Insights of 4-((4-氨基-3-甲基苯基)丁氨基)丁烷-1-磺酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-氨基-3-甲基苯基)丁氨基)丁烷-1-磺酸. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-氨基-3-甲基苯基)丁氨基)丁烷-1-磺酸. Following Lipinski's Rule of Five, 4-((4-氨基-3-甲基苯基)丁氨基)丁烷-1-磺酸 has 2 hydrogen bond donor(s) and 5 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 4-((4-氨基-3-甲基苯基)丁氨基)丁烷-1-磺酸?
The CAS number of 4-((4-氨基-3-甲基苯基)丁氨基)丁烷-1-磺酸 is 16318-87-9.
What is the molecular formula of 4-((4-氨基-3-甲基苯基)丁氨基)丁烷-1-磺酸?
The molecular formula of 4-((4-氨基-3-甲基苯基)丁氨基)丁烷-1-磺酸 is C15H26N2O3S.
What is the molecular weight of 4-((4-氨基-3-甲基苯基)丁氨基)丁烷-1-磺酸?
The molecular weight of 4-((4-氨基-3-甲基苯基)丁氨基)丁烷-1-磺酸 is 314.17 g/mol.
Where can I buy 4-((4-氨基-3-甲基苯基)丁氨基)丁烷-1-磺酸?
You can request a quote for 4-((4-氨基-3-甲基苯基)丁氨基)丁烷-1-磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-氨基-3-甲基苯基)丁氨基)丁烷-1-磺酸?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-氨基-3-甲基苯基)丁氨基)丁烷-1-磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.