3-氯-2,2-二苯基丙酸
TL;DR: 3-氯-2,2-二苯基丙酸 (CAS 29868-27-7) is a chemical compound with molecular formula C15H13ClO2 and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯-2,2-二苯基丙酸
3-chloro-2,2-diphenylpropanoic acid
Also Known As: 3-chloro-2,2-diphenylpropanoic acid, 3-chloro-2,2-diphenyl-propanoic acid
| Molecular Formula | C15H13ClO2 |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.0604 |
| Heavy Atoms | 18 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 29868-27-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCl)(C2=CC=CC=C2)C(=O)O |
| InChIKey | XOXPNTBLXHWKGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯-2,2-二苯基丙酸 (CAS 29868-27-7), with molecular formula C15H13ClO2 and molecular weight 260.06 g/mol. IUPAC: 3-chloro-2,2-diphenylpropanoic acid.
Chemical Property Profile of 3-氯-2,2-二苯基丙酸
Property Insights of 3-氯-2,2-二苯基丙酸
The XLogP value of 3.5 indicates that 3-氯-2,2-二苯基丙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-氯-2,2-二苯基丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯-2,2-二苯基丙酸 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 3-氯-2,2-二苯基丙酸?
The CAS number of 3-氯-2,2-二苯基丙酸 is 29868-27-7.
What is the molecular formula of 3-氯-2,2-二苯基丙酸?
The molecular formula of 3-氯-2,2-二苯基丙酸 is C15H13ClO2.
What is the molecular weight of 3-氯-2,2-二苯基丙酸?
The molecular weight of 3-氯-2,2-二苯基丙酸 is 260.06 g/mol.
Where can I buy 3-氯-2,2-二苯基丙酸?
You can request a quote for 3-氯-2,2-二苯基丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯-2,2-二苯基丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氯-2,2-二苯基丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.