Benzoic acid, 3-(3-(butylamino)-2-hydroxypropoxy)-4-chloro-
TL;DR: Benzoic acid, 3-(3-(butylamino)-2-hydroxypropoxy)-4-chloro- (CAS 95148-50-8) is a chemical compound with molecular formula C14H20ClNO4 and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(butylamino)-2-hydroxypropoxy]-4-chlorobenzoic acid
Also Known As: 3-[3-(butylamino)-2-hydroxypropoxy]-4-chlorobenzoic acid, 3-(3-Butylamino)-2-hydroxypropoxy)-4-chlorobenzoic acid, Benzoic acid, 3-(3-(butylamino)-2-hydroxypropoxy)-4-chloro-, Carboxybupranolol, 4-chloro-3-[3-(1,1-dimethylethylamino)-2-hydroxy-propyloxy]benzoic acid, RefChem:327143
| Molecular Formula | C14H20ClNO4 |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 301.1081 |
| Heavy Atoms | 20 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 95148-50-8 |
|---|---|
| SMILES | CCCCNCC(COC1=C(C=CC(=C1)C(=O)O)Cl)O |
| InChIKey | IZPPAHZRVDTEHO-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-(3-(butylamino)-2-hydroxypropoxy)-4-chloro- (CAS 95148-50-8), with molecular formula C14H20ClNO4 and molecular weight 301.11 g/mol. IUPAC: 3-[3-(butylamino)-2-hydroxypropoxy]-4-chlorobenzoic acid.
Chemical Property Profile of Benzoic acid, 3-(3-(butylamino)-2-hydroxypropoxy)-4-chloro-
Property Insights of Benzoic acid, 3-(3-(butylamino)-2-hydroxypropoxy)-4-chloro-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-(3-(butylamino)-2-hydroxypropoxy)-4-chloro-. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-(3-(butylamino)-2-hydroxypropoxy)-4-chloro-. Following Lipinski's Rule of Five, Benzoic acid, 3-(3-(butylamino)-2-hydroxypropoxy)-4-chloro- has 3 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 Benzoic acid, 3-(3-(butylamino)-2-hydroxypropoxy)-4-chloro-?
The CAS number of Benzoic acid, 3-(3-(butylamino)-2-hydroxypropoxy)-4-chloro- is 95148-50-8.
What is the molecular formula of Benzoic acid, 3-(3-(butylamino)-2-hydroxypropoxy)-4-chloro-?
The molecular formula of Benzoic acid, 3-(3-(butylamino)-2-hydroxypropoxy)-4-chloro- is C14H20ClNO4.
What is the molecular weight of Benzoic acid, 3-(3-(butylamino)-2-hydroxypropoxy)-4-chloro-?
The molecular weight of Benzoic acid, 3-(3-(butylamino)-2-hydroxypropoxy)-4-chloro- is 301.11 g/mol.
Where can I buy Benzoic acid, 3-(3-(butylamino)-2-hydroxypropoxy)-4-chloro-?
You can request a quote for Benzoic acid, 3-(3-(butylamino)-2-hydroxypropoxy)-4-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-(3-(butylamino)-2-hydroxypropoxy)-4-chloro-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(3-(butylamino)-2-hydroxypropoxy)-4-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.