3-(4-羟基环己基)丙酸
TL;DR: 3-(4-羟基环己基)丙酸 (CAS 828911-98-4) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-羟基环己基)丙酸
3-(4-hydroxycyclohexyl)propanoic acid
Also Known As: 3-(4-hydroxycyclohexyl)propanoic acid, 4-hydroxyCyclohexanepropanoic acid, 3-[(1s,4s)-4-hydroxycyclohexyl]propanoic acid, rac-3-[(1s,4s)-4-hydroxycyclohexyl]propanoicacid,cis, 871-166-7
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 828911-98-4 |
|---|---|
| SMILES | C1CC(CCC1CCC(=O)O)O |
| InChIKey | OGDXZMKZOMXYPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-羟基环己基)丙酸 (CAS 828911-98-4), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: 3-(4-hydroxycyclohexyl)propanoic acid.
Chemical Property Profile of 3-(4-羟基环己基)丙酸
Property Insights of 3-(4-羟基环己基)丙酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-羟基环己基)丙酸. With a topological polar surface area (TPSA) of 57.5 Ų, 3-(4-羟基环己基)丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-羟基环己基)丙酸 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-(4-羟基环己基)丙酸?
The CAS number of 3-(4-羟基环己基)丙酸 is 828911-98-4.
What is the molecular formula of 3-(4-羟基环己基)丙酸?
The molecular formula of 3-(4-羟基环己基)丙酸 is C9H16O3.
What is the molecular weight of 3-(4-羟基环己基)丙酸?
The molecular weight of 3-(4-羟基环己基)丙酸 is 172.11 g/mol.
Where can I buy 3-(4-羟基环己基)丙酸?
You can request a quote for 3-(4-羟基环己基)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-(4-羟基环己基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-羟基环己基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.