(1s,3s)-3-苯基环丁烷-1-甲酸
TL;DR: (1s,3s)-3-苯基环丁烷-1-甲酸 (CAS 66016-28-2) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1s,3s)-3-苯基环丁烷-1-甲酸
3-phenylcyclobutane-1-carboxylic acid
Also Known As: 3-Phenylcyclobutanecarboxylic acid, 3-phenylcyclobutane-1-carboxylic acid, cis-3-phenylcyclobutanecarboxylic acid, trans-3-phenylcyclobutanecarboxylic acid, 3-Phenyl-cyclobutanecarboxylic acid
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 66016-28-2 |
|---|---|
| SMILES | C1C(CC1C(=O)O)C2=CC=CC=C2 |
| InChIKey | KOSJHQBPJQYNTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1s,3s)-3-苯基环丁烷-1-甲酸 (CAS 66016-28-2), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 3-phenylcyclobutane-1-carboxylic acid.
Chemical Property Profile of (1s,3s)-3-苯基环丁烷-1-甲酸
Property Insights of (1s,3s)-3-苯基环丁烷-1-甲酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1s,3s)-3-苯基环丁烷-1-甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, (1s,3s)-3-苯基环丁烷-1-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1s,3s)-3-苯基环丁烷-1-甲酸 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 (1s,3s)-3-苯基环丁烷-1-甲酸?
The CAS number of (1s,3s)-3-苯基环丁烷-1-甲酸 is 66016-28-2.
What is the molecular formula of (1s,3s)-3-苯基环丁烷-1-甲酸?
The molecular formula of (1s,3s)-3-苯基环丁烷-1-甲酸 is C11H12O2.
What is the molecular weight of (1s,3s)-3-苯基环丁烷-1-甲酸?
The molecular weight of (1s,3s)-3-苯基环丁烷-1-甲酸 is 176.08 g/mol.
Where can I buy (1s,3s)-3-苯基环丁烷-1-甲酸?
You can request a quote for (1s,3s)-3-苯基环丁烷-1-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1s,3s)-3-苯基环丁烷-1-甲酸?
Yes, KEHONG BIO provides custom synthesis services for (1s,3s)-3-苯基环丁烷-1-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.