Pacifidiene
TL;DR: Pacifidiene (CAS 33880-92-1) is a chemical compound with molecular formula C15H19Br2ClO and molecular weight 407.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-dibromo-4-chloro-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-9-ene
Also Known As: Pacifidiene, dibromo-chloro-trimethyl-methylene-[?], NCI60_009740, 2,7-Dibromo-8-chloro-8,10,10-trimethyl-5-methylidene-2,5,7,8,9,9a-hexahydro-6H-2,5a-methano-1-benzoxepine, 6H-2,5a-Methano-1-benzoxepin, 2,7-dibromo-8-chloro-2,5,7,8,9,9a-hexahydro-8,10,10-trimethyl-5-methylene-
| Molecular Formula | C15H19Br2ClO |
|---|---|
| Molecular Weight | 407.95 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 407.94913 |
| Heavy Atoms | 19 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 33880-92-1 |
|---|---|
| SMILES | CC1(C23CC(C(CC2OC1(C=CC3=C)Br)(C)Cl)Br)C |
| InChIKey | SCVKJKKRVLDQHS-UHFFFAOYSA-N |
Product Overview
Pacifidiene (CAS 33880-92-1), with molecular formula C15H19Br2ClO and molecular weight 407.95 g/mol. IUPAC: 3,8-dibromo-4-chloro-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-9-ene.
Chemical Property Profile of Pacifidiene
Property Insights of Pacifidiene
The XLogP value of 4.9 indicates that Pacifidiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Pacifidiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pacifidiene 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 Pacifidiene?
The CAS number of Pacifidiene is 33880-92-1.
What is the molecular formula of Pacifidiene?
The molecular formula of Pacifidiene is C15H19Br2ClO.
What is the molecular weight of Pacifidiene?
The molecular weight of Pacifidiene is 407.95 g/mol.
Where can I buy Pacifidiene?
You can request a quote for Pacifidiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pacifidiene?
Yes, KEHONG BIO provides custom synthesis services for Pacifidiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.