N,O-Diacetyljervine
TL;DR: N,O-Diacetyljervine (CAS 7622-06-2) is a chemical compound with molecular formula C31H43NO5 and molecular weight 509.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4'-acetyl-3',6',10,11b-tetramethyl-11-oxospiro[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]-3-yl) acetate
Also Known As: N,O-Diacetyljervine, Jervine, acetate, NCI60_003854, (4'-acetyl-3',6',10,11b-tetramethyl-11-oxospiro[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]-3-yl) acetate, 28-Acetyl-11-oxo-17,23-epoxyveratraman-3-yl acetate
| Molecular Formula | C31H43NO5 |
|---|---|
| Molecular Weight | 509.31 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 509.31412 |
| Heavy Atoms | 37 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 7622-06-2 |
|---|---|
| SMILES | CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)OC(=O)C)C)N(C1)C(=O)C |
| InChIKey | AETQSOZEKYWGIJ-UHFFFAOYSA-N |
Product Overview
N,O-Diacetyljervine (CAS 7622-06-2), with molecular formula C31H43NO5 and molecular weight 509.31 g/mol. IUPAC: (4'-acetyl-3',6',10,11b-tetramethyl-11-oxospiro[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]-3-yl) acetate.
Chemical Property Profile of N,O-Diacetyljervine
Property Insights of N,O-Diacetyljervine
The XLogP value of 3.4 indicates that N,O-Diacetyljervine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N,O-Diacetyljervine. Following Lipinski's Rule of Five, N,O-Diacetyljervine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,O-Diacetyljervine?
The CAS number of N,O-Diacetyljervine is 7622-06-2.
What is the molecular formula of N,O-Diacetyljervine?
The molecular formula of N,O-Diacetyljervine is C31H43NO5.
What is the molecular weight of N,O-Diacetyljervine?
The molecular weight of N,O-Diacetyljervine is 509.31 g/mol.
Where can I buy N,O-Diacetyljervine?
You can request a quote for N,O-Diacetyljervine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,O-Diacetyljervine?
Yes, KEHONG BIO provides custom synthesis services for N,O-Diacetyljervine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.