Pachylactone
TL;DR: Pachylactone (CAS 89199-96-2) is a chemical compound with molecular formula C20H30O2 and molecular weight 302.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4S,5R,8S)-5-methyl-8-[(2S)-6-methylhept-5-en-2-yl]-11-oxatricyclo[7.3.0.02,4]dodec-1(9)-en-10-one
Also Known As: Pachylactone, 3H-Cyclopropa(3,4)cycloocta(1,2-c)furan-3-one, 4-((1R)-1,5-dimethyl-4-hexen-1-yl)-1,4,5,6,7,7a,8,8a-octahydro-7-methyl-, (4S,7R,7aS,8aS)-, (2R,4R,5S,8R)-5-methyl-8-((2S)-6-methylhept-5-en-2-yl)-11-oxatricyclo(7.3.0.02,4)dodec-1(9)-en-10-one, (2R,4R,5S,8R)-5-methyl-8-[(2S)-6-methylhept-5-en-2-yl]-11-oxatricyclo[7.3.0.02,4]dodec-1(9)-en-10-one, (2S,4S,5R,8S)-5-methyl-8-((2S)-6-methylhept-5-en-2-yl)-11-oxatricyclo(7.3.0.02,4)dodec-1(9)-en-10-one
| Molecular Formula | C20H30O2 |
|---|---|
| Molecular Weight | 302.22 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.22458 |
| Heavy Atoms | 22 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 89199-96-2 |
|---|---|
| SMILES | C[C@@H]1CC[C@H](C2=C(COC2=O)[C@@H]3[C@H]1C3)[C@@H](C)CCC=C(C)C |
| InChIKey | GWENPRUHSSRYLN-QEOTZNIISA-N |
Product Overview
Pachylactone (CAS 89199-96-2), with molecular formula C20H30O2 and molecular weight 302.22 g/mol. IUPAC: (2S,4S,5R,8S)-5-methyl-8-[(2S)-6-methylhept-5-en-2-yl]-11-oxatricyclo[7.3.0.02,4]dodec-1(9)-en-10-one.
Chemical Property Profile of Pachylactone
Property Insights of Pachylactone
The XLogP value of 5.4 indicates that Pachylactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pachylactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pachylactone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pachylactone?
The CAS number of Pachylactone is 89199-96-2.
What is the molecular formula of Pachylactone?
The molecular formula of Pachylactone is C20H30O2.
What is the molecular weight of Pachylactone?
The molecular weight of Pachylactone is 302.22 g/mol.
Where can I buy Pachylactone?
You can request a quote for Pachylactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pachylactone?
Yes, KEHONG BIO provides custom synthesis services for Pachylactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.