O-Acetyljervine
TL;DR: O-Acetyljervine (CAS 14788-78-4) is a chemical compound with molecular formula C29H41NO4 and molecular weight 467.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3',6',10,11b-tetramethyl-11-oxospiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-yl) acetate
Also Known As: O-Acetyljervine, Jervine acetate (7CI), (3',6',10,11b-tetramethyl-11-oxospiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-yl) acetate
| Molecular Formula | C29H41NO4 |
|---|---|
| Molecular Weight | 467.30 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 467.30356 |
| Heavy Atoms | 34 |
| Complexity | 983.0 |
Chemical Identifiers
| CAS Number | 14788-78-4 |
|---|---|
| SMILES | CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)OC(=O)C)C)NC1 |
| InChIKey | UQVIFHXKIPQADQ-UHFFFAOYSA-N |
Product Overview
O-Acetyljervine (CAS 14788-78-4), with molecular formula C29H41NO4 and molecular weight 467.30 g/mol. IUPAC: (3',6',10,11b-tetramethyl-11-oxospiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-yl) acetate.
Chemical Property Profile of O-Acetyljervine
Property Insights of O-Acetyljervine
The XLogP value of 3.5 indicates that O-Acetyljervine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Acetyljervine. Following Lipinski's Rule of Five, O-Acetyljervine has 1 hydrogen bond donor(s) and 5 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 O-Acetyljervine?
The CAS number of O-Acetyljervine is 14788-78-4.
What is the molecular formula of O-Acetyljervine?
The molecular formula of O-Acetyljervine is C29H41NO4.
What is the molecular weight of O-Acetyljervine?
The molecular weight of O-Acetyljervine is 467.30 g/mol.
Where can I buy O-Acetyljervine?
You can request a quote for O-Acetyljervine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Acetyljervine?
Yes, KEHONG BIO provides custom synthesis services for O-Acetyljervine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.