Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)-
TL;DR: Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)- (CAS 157126-18-6) is a chemical compound with molecular formula C16H19O7PS and molecular weight 386.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid
Also Known As: BMS 187745, (1S)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid, 3-Phenoxy-alphaS-phosphonobenzenebutanesulfonic acid, Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)-, J1.673.629E
| Molecular Formula | C16H19O7PS |
|---|---|
| Molecular Weight | 386.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 386.0589 |
| Heavy Atoms | 25 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 157126-18-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)CCC[C@@H](P(=O)(O)O)S(=O)(=O)O |
| InChIKey | RCGCZPXSRLLKCK-INIZCTEOSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)- (CAS 157126-18-6), with molecular formula C16H19O7PS and molecular weight 386.06 g/mol. IUPAC: (1S)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid.
Chemical Property Profile of Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)-
Property Insights of Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)-. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)-. Following Lipinski's Rule of Five, Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)- has 3 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 Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)-?
The CAS number of Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)- is 157126-18-6.
What is the molecular formula of Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)-?
The molecular formula of Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)- is C16H19O7PS.
What is the molecular weight of Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)-?
The molecular weight of Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)- is 386.06 g/mol.
Where can I buy Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)-?
You can request a quote for Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.