1,4-Benzenediol, 1-propanoate
TL;DR: 1,4-Benzenediol, 1-propanoate (CAS 3233-34-9) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hydroxyphenyl) propanoate
Also Known As: p-Hydroxyphenyl propanoate, 4-hydroxyphenyl propionate, p-Hydroxyphenylpropanoate, 4-hydroxyphenyl propanoate, (4-hydroxyphenyl) Propanoate
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.7076 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 263.60706 |
Chemical Identifiers
| CAS Number | 3233-34-9 |
|---|---|
| SMILES | CCC(=O)OC1=CC=C(C=C1)O |
Product Overview
1,4-Benzenediol, 1-propanoate (CAS 3233-34-9), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: (4-hydroxyphenyl) propanoate.
Chemical Property Profile of 1,4-Benzenediol, 1-propanoate
Property Insights of 1,4-Benzenediol, 1-propanoate
The XLogP value of 1.7076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediol, 1-propanoate. With a topological polar surface area (TPSA) of 46.53 Ų, 1,4-Benzenediol, 1-propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenediol, 1-propanoate has 1 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 1,4-Benzenediol, 1-propanoate?
The CAS number of 1,4-Benzenediol, 1-propanoate is 3233-34-9.
What is the molecular formula of 1,4-Benzenediol, 1-propanoate?
The molecular formula of 1,4-Benzenediol, 1-propanoate is C9H10O3.
What is the molecular weight of 1,4-Benzenediol, 1-propanoate?
The molecular weight of 1,4-Benzenediol, 1-propanoate is 166.06 g/mol.
Where can I buy 1,4-Benzenediol, 1-propanoate?
You can request a quote for 1,4-Benzenediol, 1-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediol, 1-propanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediol, 1-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.