N-Acetyl tetrahydrojervine
TL;DR: N-Acetyl tetrahydrojervine (CAS 7595-52-0) is a chemical compound with molecular formula C29H45NO4 and molecular weight 471.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4'-acetyl-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,10a,11a-tetradecahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-11-one
Also Known As: N-Acetyl tetrahydrojervine, JERVINE, TETRAHYDRO-, 28-Acetyl-3-hydroxy-5,6,12,13-tetrahydro-17,23-epoxyveratraman-11-one, 4'-acetyl-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,10a,11a-tetradecahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-11-one
| Molecular Formula | C29H45NO4 |
|---|---|
| Molecular Weight | 471.33 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 471.33487 |
| Heavy Atoms | 34 |
| Complexity | 874.0 |
Chemical Identifiers
| CAS Number | 7595-52-0 |
|---|---|
| SMILES | CC1CC2C(C(C3(O2)CCC4C5CCC6CC(CCC6(C5C(=O)C4C3C)C)O)C)N(C1)C(=O)C |
| InChIKey | CZISQJYYVSYYBE-UHFFFAOYSA-N |
Product Overview
N-Acetyl tetrahydrojervine (CAS 7595-52-0), with molecular formula C29H45NO4 and molecular weight 471.33 g/mol. IUPAC: 4'-acetyl-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,10a,11a-tetradecahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-11-one.
Chemical Property Profile of N-Acetyl tetrahydrojervine
Property Insights of N-Acetyl tetrahydrojervine
The XLogP value of 4.4 indicates that N-Acetyl tetrahydrojervine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyl tetrahydrojervine. Following Lipinski's Rule of Five, N-Acetyl tetrahydrojervine 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-Acetyl tetrahydrojervine?
The CAS number of N-Acetyl tetrahydrojervine is 7595-52-0.
What is the molecular formula of N-Acetyl tetrahydrojervine?
The molecular formula of N-Acetyl tetrahydrojervine is C29H45NO4.
What is the molecular weight of N-Acetyl tetrahydrojervine?
The molecular weight of N-Acetyl tetrahydrojervine is 471.33 g/mol.
Where can I buy N-Acetyl tetrahydrojervine?
You can request a quote for N-Acetyl tetrahydrojervine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetyl tetrahydrojervine?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyl tetrahydrojervine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.