Deoxyprepacifenol
TL;DR: Deoxyprepacifenol (CAS 58967-05-8) is a chemical compound with molecular formula C15H21Br2ClO and molecular weight 409.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,1'S,2'S,6S)-2',3-dibromo-1'-chloro-1',4,4,6-tetramethylspiro[7-oxabicyclo[4.1.0]hept-2-ene-5,4'-cyclohexane]
Also Known As: Deoxyprepacifenol, piro(cyclohexane-1,2'-(7)oxabicyclo(4.1.0)hept(4)ene), 3,4'-dibromo-4-chloro-1',3',3',4-tetramethyl-, (1R-(1alpha(1'S*,6'R*),3beta,4alpha))-, 2',3-dibromo-1'-chloro-1',4,4,6-tetramethylspiro(7-oxabicyclo(4.1.0)hept-2-ene-5,4'-cyclohexane), 2',3-dibromo-1'-chloro-1',4,4,6-tetramethylspiro[7-oxabicyclo[4.1.0]hept-2-ene-5,4'-cyclohexane], RefChem:131987
| Molecular Formula | C15H21Br2ClO |
|---|---|
| Molecular Weight | 409.96 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 409.96478 |
| Heavy Atoms | 19 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 58967-05-8 |
|---|---|
| SMILES | C[C@@]1(CCC2(C[C@@H]1Br)[C@]3([C@H](O3)C=C(C2(C)C)Br)C)Cl |
| InChIKey | LCVJEYNJCXTRIQ-CVGSFCPKSA-N |
Product Overview
Deoxyprepacifenol (CAS 58967-05-8), with molecular formula C15H21Br2ClO and molecular weight 409.96 g/mol. IUPAC: (1R,1'S,2'S,6S)-2',3-dibromo-1'-chloro-1',4,4,6-tetramethylspiro[7-oxabicyclo[4.1.0]hept-2-ene-5,4'-cyclohexane].
Chemical Property Profile of Deoxyprepacifenol
Property Insights of Deoxyprepacifenol
The XLogP value of 4.7 indicates that Deoxyprepacifenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Deoxyprepacifenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Deoxyprepacifenol has 0 hydrogen bond donor(s) and 1 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 Deoxyprepacifenol?
The CAS number of Deoxyprepacifenol is 58967-05-8.
What is the molecular formula of Deoxyprepacifenol?
The molecular formula of Deoxyprepacifenol is C15H21Br2ClO.
What is the molecular weight of Deoxyprepacifenol?
The molecular weight of Deoxyprepacifenol is 409.96 g/mol.
Where can I buy Deoxyprepacifenol?
You can request a quote for Deoxyprepacifenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxyprepacifenol?
Yes, KEHONG BIO provides custom synthesis services for Deoxyprepacifenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.