肠二醇
TL;DR: 肠二醇 (CAS 80226-00-2) is a chemical compound with molecular formula C18H22O4 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
肠二醇
(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol
Also Known As: Enterodiol, (-)-Enterodiol, rac Enterodiol, Arbo 9, (? currency)-Enterodiol
| Molecular Formula | C18H22O4 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 302.1518 |
| Heavy Atoms | 22 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 80226-00-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)C[C@@H](CO)[C@@H](CC2=CC(=CC=C2)O)CO |
| InChIKey | DWONJCNDULPHLV-HOTGVXAUSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
肠二醇 (CAS 80226-00-2), with molecular formula C18H22O4 and molecular weight 302.15 g/mol. IUPAC: (2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol.
Chemical Property Profile of 肠二醇
Property Insights of 肠二醇
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 肠二醇. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 肠二醇. Following Lipinski's Rule of Five, 肠二醇 has 4 hydrogen bond donor(s) and 4 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 肠二醇?
The CAS number of 肠二醇 is 80226-00-2.
What is the molecular formula of 肠二醇?
The molecular formula of 肠二醇 is C18H22O4.
What is the molecular weight of 肠二醇?
The molecular weight of 肠二醇 is 302.15 g/mol.
Where can I buy 肠二醇?
You can request a quote for 肠二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 肠二醇?
Yes, KEHONG BIO provides custom synthesis services for 肠二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.