N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate
TL;DR: N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate (CAS 66409-97-0) is a chemical compound with molecular formula C33H51NO4 and molecular weight 525.38 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,10R,10aS,11aS,11bR)-4'-butyl-3',6',10,11b-tetramethyl-11-oxospiro[1,2,3,4,6,6a,6b,7,8,10,10a,11a-dodecahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-yl] acetate
Also Known As: N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate, N-Butyl-3-O-acetyl-12beta,13alpha-dihydrojervine, n-Butyl-3-O-acetyl-12-beta,12-alpha-dihydrojervine, N-Butyl-3-O-acetyl-12-beta,13-alpha-dihydrojervine, JERVINE, N-BUTYL-12-beta,13-alpha-DIHYDRO-, 3-ACETATE
| Molecular Formula | C33H51NO4 |
|---|---|
| Molecular Weight | 525.38 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 525.38184 |
| Heavy Atoms | 38 |
| Complexity | 991.479 |
Chemical Identifiers
| CAS Number | 66409-97-0 |
|---|---|
| SMILES | CCCCN1C[C@H](C[C@@H]2[C@@H]1[C@H](C3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5C(=O)[C@@H]4[C@H]3C)C)OC(=O)C)C)C |
Product Overview
N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate (CAS 66409-97-0), with molecular formula C33H51NO4 and molecular weight 525.38 g/mol. IUPAC: [(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,10R,10aS,11aS,11bR)-4'-butyl-3',6',10,11b-tetramethyl-11-oxospiro[1,2,3,4,6,6a,6b,7,8,10,10a,11a-dodecahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-yl] acetate.
Chemical Property Profile of N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate
Property Insights of N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate
The XLogP value of 6.2 indicates that N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate 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-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate?
The CAS number of N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate is 66409-97-0.
What is the molecular formula of N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate?
The molecular formula of N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate is C33H51NO4.
What is the molecular weight of N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate?
The molecular weight of N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate is 525.38 g/mol.
Where can I buy N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate?
You can request a quote for N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.