Pacifenol
TL;DR: Pacifenol (CAS 33880-90-9) is a chemical compound with molecular formula C15H21Br2ClO2 and molecular weight 425.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-dibromo-4-chloro-4,11,12,12-tetramethyl-7-oxatricyclo[6.3.1.01,6]dodec-9-en-11-ol
Also Known As: Pacifenol, dibromo-chloro-tetramethyl-[?]ol, NCI60_002358, 3,8-dibromo-4-chloro-4,11,12,12-tetramethyl-7-oxatricyclo[6.3.1.01,6]dodec-9-en-11-ol, (1R,3S,4S,6S,8R,11R)-3,8-Dibromo-4-chloro-4,11,12,12-tetramethyl-7-oxatricyclo[6.3.1.01,6]dodec-9-en-11-ol
| Molecular Formula | C15H21Br2ClO2 |
|---|---|
| Molecular Weight | 425.96 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 427.95764 |
| Heavy Atoms | 20 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 33880-90-9 |
|---|---|
| SMILES | CC1(C23CC(C(CC2OC1(C=CC3(C)O)Br)(C)Cl)Br)C |
| InChIKey | WNGMEQXERFPHIP-UHFFFAOYSA-N |
Product Overview
Pacifenol (CAS 33880-90-9), with molecular formula C15H21Br2ClO2 and molecular weight 425.96 g/mol. IUPAC: 3,8-dibromo-4-chloro-4,11,12,12-tetramethyl-7-oxatricyclo[6.3.1.01,6]dodec-9-en-11-ol.
Chemical Property Profile of Pacifenol
Property Insights of Pacifenol
The XLogP value of 3.9 indicates that Pacifenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Pacifenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pacifenol has 1 hydrogen bond donor(s) and 2 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 Pacifenol?
The CAS number of Pacifenol is 33880-90-9.
What is the molecular formula of Pacifenol?
The molecular formula of Pacifenol is C15H21Br2ClO2.
What is the molecular weight of Pacifenol?
The molecular weight of Pacifenol is 425.96 g/mol.
Where can I buy Pacifenol?
You can request a quote for Pacifenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pacifenol?
Yes, KEHONG BIO provides custom synthesis services for Pacifenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.