rac-Acolbifene
TL;DR: rac-Acolbifene (CAS 252555-01-4) is a chemical compound with molecular formula C29H31NO4 and molecular weight 457.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol
Also Known As: rac-Acolbifene, Acolbifene, (Rac)-Acolbifene, ACOLBIFENE (hydrochloride), em34-3
| Molecular Formula | C29H31NO4 |
|---|---|
| Molecular Weight | 457.23 g/mol |
| LogP | 6.0269 |
| Topological Polar Surface Area | 62.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.2253 |
| Heavy Atoms | 34 |
| Complexity | 1161.7399 |
Chemical Identifiers
| CAS Number | 252555-01-4 |
|---|---|
| SMILES | CC1=C(C(OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OCCN4CCCCC4)C5=CC=C(C=C5)O |
Product Overview
rac-Acolbifene (CAS 252555-01-4), with molecular formula C29H31NO4 and molecular weight 457.23 g/mol. IUPAC: 3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol.
Chemical Property Profile of rac-Acolbifene
Property Insights of rac-Acolbifene
The XLogP value of 6.0269 indicates that rac-Acolbifene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.16 Ų falls within the moderate polarity range, balancing permeability and solubility for rac-Acolbifene. Following Lipinski's Rule of Five, rac-Acolbifene has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of rac-Acolbifene?
The CAS number of rac-Acolbifene is 252555-01-4.
What is the molecular formula of rac-Acolbifene?
The molecular formula of rac-Acolbifene is C29H31NO4.
What is the molecular weight of rac-Acolbifene?
The molecular weight of rac-Acolbifene is 457.23 g/mol.
Where can I buy rac-Acolbifene?
You can request a quote for rac-Acolbifene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rac-Acolbifene?
Yes, KEHONG BIO provides custom synthesis services for rac-Acolbifene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.