和厚朴新酚
TL;DR: 和厚朴新酚 (CAS 83864-78-2) is a chemical compound with molecular formula C18H18O3 and molecular weight 282.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
和厚朴新酚
5-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene-1,2-diol
Also Known As: Obovatol, obovator, obvatol, KST-1B9077, 4',5-Diallyl-2,3-dihydroxybiphenyl ether
| Molecular Formula | C18H18O3 |
|---|---|
| Molecular Weight | 282.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.12558 |
| Heavy Atoms | 21 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 83864-78-2 |
|---|---|
| SMILES | C=CCC1=CC=C(C=C1)OC2=CC(=CC(=C2O)O)CC=C |
| InChIKey | OPGPFZQBCIAFLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
和厚朴新酚 (CAS 83864-78-2), with molecular formula C18H18O3 and molecular weight 282.13 g/mol. IUPAC: 5-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene-1,2-diol.
Chemical Property Profile of 和厚朴新酚
Property Insights of 和厚朴新酚
The XLogP value of 4.9 indicates that 和厚朴新酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 和厚朴新酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 和厚朴新酚 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 和厚朴新酚?
The CAS number of 和厚朴新酚 is 83864-78-2.
What is the molecular formula of 和厚朴新酚?
The molecular formula of 和厚朴新酚 is C18H18O3.
What is the molecular weight of 和厚朴新酚?
The molecular weight of 和厚朴新酚 is 282.13 g/mol.
Where can I buy 和厚朴新酚?
You can request a quote for 和厚朴新酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 和厚朴新酚?
Yes, KEHONG BIO provides custom synthesis services for 和厚朴新酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.