Versicolactone B
TL;DR: Versicolactone B (CAS 104613-44-7) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S,5Z,8R,9R)-4-hydroxy-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodec-5-en-11-one
Also Known As: Versicolactone B, (1R,4S,5Z,8R,9R)-4-hydroxy-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodec-5-en-11-one, (5E)-5-((2R,3R)-2,3-dihydroxybutylidene)furan-2-one, (5E)-5-((2R,3S)-2,3-dihydroxybutylidene)furan-2-one, 10-Oxabicyclo(7.2.1)dodec-5-en-11-one, 4-hydroxy-5-methyl-8-(1-methylethenyl)-, (1R-(1R*,4S*,5E,8R*,9R*))-
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 2.6015 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 383.19995 |
Chemical Identifiers
| CAS Number | 104613-44-7 |
|---|---|
| SMILES | C/C/1=C/C[C@@H]([C@H]2C[C@@H](CC[C@@H]1O)C(=O)O2)C(=C)C |
Product Overview
Versicolactone B (CAS 104613-44-7), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: (1R,4S,5Z,8R,9R)-4-hydroxy-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodec-5-en-11-one.
Chemical Property Profile of Versicolactone B
Property Insights of Versicolactone B
The XLogP value of 2.6015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Versicolactone B. With a topological polar surface area (TPSA) of 46.53 Ų, Versicolactone B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Versicolactone B 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 Versicolactone B?
The CAS number of Versicolactone B is 104613-44-7.
What is the molecular formula of Versicolactone B?
The molecular formula of Versicolactone B is C15H22O3.
What is the molecular weight of Versicolactone B?
The molecular weight of Versicolactone B is 250.16 g/mol.
Where can I buy Versicolactone B?
You can request a quote for Versicolactone B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Versicolactone B?
Yes, KEHONG BIO provides custom synthesis services for Versicolactone B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.