Benzenepropanoic acid, 3-chloro-4-(phenylmethoxy)-
TL;DR: Benzenepropanoic acid, 3-chloro-4-(phenylmethoxy)- (CAS 79669-13-9) is a chemical compound with molecular formula C16H15ClO3 and molecular weight 290.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-phenylmethoxyphenyl)propanoic acid
Also Known As: 3-(3-chloro-4-phenylmethoxyphenyl)propanoic acid, Benzenepropanoic acid, 3-chloro-4-(phenylmethoxy)-, 3-[4-(benzyloxy)-3-chlorophenyl]propanoic acid, 3-(3-chloro-4-phenylmethoxy-phenyl)propanoic Acid
| Molecular Formula | C16H15ClO3 |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 3.9362 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.07098 |
| Heavy Atoms | 20 |
| Complexity | 581.53076 |
Chemical Identifiers
| CAS Number | 79669-13-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=C(C=C2)CCC(=O)O)Cl |
Product Overview
Benzenepropanoic acid, 3-chloro-4-(phenylmethoxy)- (CAS 79669-13-9), with molecular formula C16H15ClO3 and molecular weight 290.07 g/mol. IUPAC: 3-(3-chloro-4-phenylmethoxyphenyl)propanoic acid.
Chemical Property Profile of Benzenepropanoic acid, 3-chloro-4-(phenylmethoxy)-
Property Insights of Benzenepropanoic acid, 3-chloro-4-(phenylmethoxy)-
The XLogP value of 3.9362 indicates that Benzenepropanoic acid, 3-chloro-4-(phenylmethoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Benzenepropanoic acid, 3-chloro-4-(phenylmethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanoic acid, 3-chloro-4-(phenylmethoxy)- has 1 hydrogen bond donor(s) and 2 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 Benzenepropanoic acid, 3-chloro-4-(phenylmethoxy)-?
The CAS number of Benzenepropanoic acid, 3-chloro-4-(phenylmethoxy)- is 79669-13-9.
What is the molecular formula of Benzenepropanoic acid, 3-chloro-4-(phenylmethoxy)-?
The molecular formula of Benzenepropanoic acid, 3-chloro-4-(phenylmethoxy)- is C16H15ClO3.
What is the molecular weight of Benzenepropanoic acid, 3-chloro-4-(phenylmethoxy)-?
The molecular weight of Benzenepropanoic acid, 3-chloro-4-(phenylmethoxy)- is 290.07 g/mol.
Where can I buy Benzenepropanoic acid, 3-chloro-4-(phenylmethoxy)-?
You can request a quote for Benzenepropanoic acid, 3-chloro-4-(phenylmethoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, 3-chloro-4-(phenylmethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 3-chloro-4-(phenylmethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.