N-Acetyljervine
TL;DR: N-Acetyljervine (CAS 17009-03-9) 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.
(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-4'-acetyl-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-11-one
Also Known As: N-Acetyljervine, O-Acetyljervine, JERVINE, N-ACETYL-, KST-1A2570, 28-Acetyl-3-hydroxy-17,23-epoxyveratraman-11-one
| Molecular Formula | C29H41NO4 |
|---|---|
| Molecular Weight | 467.30 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 467.30356 |
| Heavy Atoms | 34 |
| Complexity | 998.0 |
Chemical Identifiers
| CAS Number | 17009-03-9 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5C(=O)C4=C3C)C)O)C)N(C1)C(=O)C |
| InChIKey | JZUCJYFWBDCEME-CXKDDGKJSA-N |
Product Overview
N-Acetyljervine (CAS 17009-03-9), with molecular formula C29H41NO4 and molecular weight 467.30 g/mol. IUPAC: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-4'-acetyl-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-11-one.
Chemical Property Profile of N-Acetyljervine
Property Insights of N-Acetyljervine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyljervine. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyljervine. Following Lipinski's Rule of Five, N-Acetyljervine has 1 hydrogen bond donor(s) and 4 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 N-Acetyljervine?
The CAS number of N-Acetyljervine is 17009-03-9.
What is the molecular formula of N-Acetyljervine?
The molecular formula of N-Acetyljervine is C29H41NO4.
What is the molecular weight of N-Acetyljervine?
The molecular weight of N-Acetyljervine is 467.30 g/mol.
Where can I buy N-Acetyljervine?
You can request a quote for N-Acetyljervine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetyljervine?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyljervine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.