3-氯扁桃酸
TL;DR: 3-氯扁桃酸 (CAS 16273-37-3) is a chemical compound with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯扁桃酸
2-(3-chlorophenyl)-2-hydroxyacetic acid
Also Known As: 3-chloromandelic acid, 3-Chlorophenylglycolic acid, 2-(3-Chlorophenyl)-2-hydroxyacetic Acid, alpha-Solanine, Dihydrocholesterol
| Molecular Formula | C8H7ClO3 |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.00838 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 16273-37-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(C(=O)O)O |
| InChIKey | SAMVPMGKGGLIPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯扁桃酸 (CAS 16273-37-3), with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol. IUPAC: 2-(3-chlorophenyl)-2-hydroxyacetic acid.
Chemical Property Profile of 3-氯扁桃酸
Property Insights of 3-氯扁桃酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯扁桃酸. With a topological polar surface area (TPSA) of 57.5 Ų, 3-氯扁桃酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯扁桃酸 has 2 hydrogen bond donor(s) and 3 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-氯扁桃酸?
The CAS number of 3-氯扁桃酸 is 16273-37-3.
What is the molecular formula of 3-氯扁桃酸?
The molecular formula of 3-氯扁桃酸 is C8H7ClO3.
What is the molecular weight of 3-氯扁桃酸?
The molecular weight of 3-氯扁桃酸 is 186.01 g/mol.
Where can I buy 3-氯扁桃酸?
You can request a quote for 3-氯扁桃酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯扁桃酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氯扁桃酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.