Prepacifennol epoxide
TL;DR: Prepacifennol epoxide (CAS 55304-01-3) is a chemical compound with molecular formula C15H21Br2ClO3 and molecular weight 441.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4'-dibromo-5'-chloro-5,5,5',7-tetramethylspiro[3,8-dioxatricyclo[5.1.0.02,4]octane-6,2'-cyclohexane]-1'-ol
Also Known As: Prepacifennol epoxide, Prepacifenol epoxide, C123CC(Br)C(Cl)(C)CC1O.CC3(C)C4(Br)OC4C5OC25C, Spiro(cyclohexane-1,5'-(3,8)dioxatricyclo(5.1.0.0(2,4))octan)-2-ol, 5,7'-dibromo-4-chloro-4, 4',6',6'-tetramethyl-, (1'R-(1'alpha,2'beta,4'beta,5'alpha (2S*,4S*,5S*),7'alpha))-, Spiro(cyclohexane-1,5'-(3,8)dioxatricyclo(5.1.0.0(2,4))octan)-2-ol, 5,7'-dibromo-4-chloro-4,4',6',6'-tetramethyl-, (1R,1'R,2S,2'R,4S,4'S,5S,7'R)-
| Molecular Formula | C15H21Br2ClO3 |
|---|---|
| Molecular Weight | 441.95 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 441.9546 |
| Heavy Atoms | 21 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 55304-01-3 |
|---|---|
| SMILES | CC1(C2(CC(C(CC2O)(C)Cl)Br)C3(C(O3)C4C1(O4)Br)C)C |
| InChIKey | AHEAISCIGHPMGI-UHFFFAOYSA-N |
Product Overview
Prepacifennol epoxide (CAS 55304-01-3), with molecular formula C15H21Br2ClO3 and molecular weight 441.95 g/mol. IUPAC: 4,4'-dibromo-5'-chloro-5,5,5',7-tetramethylspiro[3,8-dioxatricyclo[5.1.0.02,4]octane-6,2'-cyclohexane]-1'-ol.
Chemical Property Profile of Prepacifennol epoxide
Property Insights of Prepacifennol epoxide
The XLogP value of 3.2 indicates that Prepacifennol epoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, Prepacifennol epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prepacifennol epoxide 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 Prepacifennol epoxide?
The CAS number of Prepacifennol epoxide is 55304-01-3.
What is the molecular formula of Prepacifennol epoxide?
The molecular formula of Prepacifennol epoxide is C15H21Br2ClO3.
What is the molecular weight of Prepacifennol epoxide?
The molecular weight of Prepacifennol epoxide is 441.95 g/mol.
Where can I buy Prepacifennol epoxide?
You can request a quote for Prepacifennol epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prepacifennol epoxide?
Yes, KEHONG BIO provides custom synthesis services for Prepacifennol epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.