9-脱氧毛喉素
TL;DR: 9-脱氧毛喉素 (CAS 84048-28-2) is a chemical compound with molecular formula C22H34O6 and molecular weight 394.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-脱氧毛喉素
(3-ethenyl-6,10-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-5-yl) acetate
Also Known As: 9-DEOXYFORSKOLIN, 9-Deoxyforskolin from Coleus forskohlii, (3-ethenyl-6,10-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-5-yl) acetate, [(3R,4aS,5S,6S,6aS,10S,10aS,10bR)-3-ethenyl-6,10-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-5-yl] acetate, 3-ethenyl-6,10-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate
| Molecular Formula | C22H34O6 |
|---|---|
| Molecular Weight | 394.24 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.23553 |
| Heavy Atoms | 28 |
| Complexity | 701.0 |
Chemical Identifiers
| CAS Number | 84048-28-2 |
|---|---|
| SMILES | CC(=O)OC1C(C2C(CCC(C2(C3C1(OC(CC3=O)(C)C=C)C)C)O)(C)C)O |
| InChIKey | SUZLHDUTVMZSEV-UHFFFAOYSA-N |
Product Overview
9-脱氧毛喉素 (CAS 84048-28-2), with molecular formula C22H34O6 and molecular weight 394.24 g/mol. IUPAC: (3-ethenyl-6,10-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-5-yl) acetate.
Chemical Property Profile of 9-脱氧毛喉素
Property Insights of 9-脱氧毛喉素
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-脱氧毛喉素. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-脱氧毛喉素. Following Lipinski's Rule of Five, 9-脱氧毛喉素 has 2 hydrogen bond donor(s) and 6 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 9-脱氧毛喉素?
The CAS number of 9-脱氧毛喉素 is 84048-28-2.
What is the molecular formula of 9-脱氧毛喉素?
The molecular formula of 9-脱氧毛喉素 is C22H34O6.
What is the molecular weight of 9-脱氧毛喉素?
The molecular weight of 9-脱氧毛喉素 is 394.24 g/mol.
Where can I buy 9-脱氧毛喉素?
You can request a quote for 9-脱氧毛喉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-脱氧毛喉素?
Yes, KEHONG BIO provides custom synthesis services for 9-脱氧毛喉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.