3'-Hydroxysafrol
TL;DR: 3'-Hydroxysafrol (CAS 63785-57-9) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)prop-1-en-1-ol
Also Known As: 3'-Hydroxysafrol, 3-(1,3-Benzodioxol-5-yl)-1-propen-1-ol
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 63785-57-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CC=CO |
| InChIKey | GIGHYJQRMLZPOZ-UHFFFAOYSA-N |
Product Overview
3'-Hydroxysafrol (CAS 63785-57-9), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)prop-1-en-1-ol.
Chemical Property Profile of 3'-Hydroxysafrol
Property Insights of 3'-Hydroxysafrol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Hydroxysafrol. With a topological polar surface area (TPSA) of 38.7 Ų, 3'-Hydroxysafrol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Hydroxysafrol 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 3'-Hydroxysafrol?
The CAS number of 3'-Hydroxysafrol is 63785-57-9.
What is the molecular formula of 3'-Hydroxysafrol?
The molecular formula of 3'-Hydroxysafrol is C10H10O3.
What is the molecular weight of 3'-Hydroxysafrol?
The molecular weight of 3'-Hydroxysafrol is 178.06 g/mol.
Where can I buy 3'-Hydroxysafrol?
You can request a quote for 3'-Hydroxysafrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Hydroxysafrol?
Yes, KEHONG BIO provides custom synthesis services for 3'-Hydroxysafrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.