4-Deoxyverrucarol
TL;DR: 4-Deoxyverrucarol (CAS 97807-27-7) 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,2R,7R,9S)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methanol
Also Known As: 4-Deoxyverrucarol, 4-Dove, KST-1A9204, 12,13-Epoxytrichothec-9-en-15-ol, Trichothec-9-en-15-ol, 12,13-epoxy-
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 97807-27-7 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3(CC[C@@H](C34CO4)O2)C)CO |
| InChIKey | PIKGDUXACSBRJF-HHKCZIBZSA-N |
Product Overview
4-Deoxyverrucarol (CAS 97807-27-7), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: [(1R,2R,7R,9S)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methanol.
Chemical Property Profile of 4-Deoxyverrucarol
Property Insights of 4-Deoxyverrucarol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Deoxyverrucarol. With a topological polar surface area (TPSA) of 42.0 Ų, 4-Deoxyverrucarol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Deoxyverrucarol 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 4-Deoxyverrucarol?
The CAS number of 4-Deoxyverrucarol is 97807-27-7.
What is the molecular formula of 4-Deoxyverrucarol?
The molecular formula of 4-Deoxyverrucarol is C15H22O3.
What is the molecular weight of 4-Deoxyverrucarol?
The molecular weight of 4-Deoxyverrucarol is 250.16 g/mol.
Where can I buy 4-Deoxyverrucarol?
You can request a quote for 4-Deoxyverrucarol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Deoxyverrucarol?
Yes, KEHONG BIO provides custom synthesis services for 4-Deoxyverrucarol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.