rel-Erteberel
TL;DR: rel-Erteberel (CAS 533884-10-5) 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.
(3aR,4S,9bS)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
Also Known As: rel-Erteberel, (-)-Erteberel, Selective estrogen receptor beta agonist-2, (3aR,4S,9bS)-1,2,3,3a,4,9b-Hexahydro-4-(4-hydroxyphenyl)cyclopenta(C)(1)benzopyran-8-ol, Cyclopenta(C)(1)benzopyran-8-ol, 1,2,3,3a,4,9b-hexahydro-4-(4-hydroxyphenyl)-, (3aR,4S,9bS)-
| Molecular Formula | C18H18O3 |
|---|---|
| Molecular Weight | 282.13 g/mol |
| LogP | 4.1152 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.12558 |
| Heavy Atoms | 21 |
| Complexity | 662.6637 |
Chemical Identifiers
| CAS Number | 533884-10-5 |
|---|---|
| SMILES | C1C[C@@H]2[C@H](C1)C3=C(C=CC(=C3)O)O[C@@H]2C4=CC=C(C=C4)O |
Product Overview
rel-Erteberel (CAS 533884-10-5), with molecular formula C18H18O3 and molecular weight 282.13 g/mol. IUPAC: (3aR,4S,9bS)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol.
Chemical Property Profile of rel-Erteberel
Property Insights of rel-Erteberel
The XLogP value of 4.1152 indicates that rel-Erteberel is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.69 Ų, rel-Erteberel exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-Erteberel 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 rel-Erteberel?
The CAS number of rel-Erteberel is 533884-10-5.
What is the molecular formula of rel-Erteberel?
The molecular formula of rel-Erteberel is C18H18O3.
What is the molecular weight of rel-Erteberel?
The molecular weight of rel-Erteberel is 282.13 g/mol.
Where can I buy rel-Erteberel?
You can request a quote for rel-Erteberel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-Erteberel?
Yes, KEHONG BIO provides custom synthesis services for rel-Erteberel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.