N-Methyljervine methiodide
TL;DR: N-Methyljervine methiodide (CAS 68114-93-2) is a chemical compound with molecular formula C28H42INO3 and molecular weight 567.22 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)-3-hydroxy-3',4',4',6',10-pentamethylspiro[2,3,4,6,6a,6b,7,8,11a,11b-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-4-ium]-11-one iodide
Also Known As: N-Methyljervine methiodide, KST-1A7490, (3s,3'r,3a's,6's,6as,6bs,7a'r,9r,11as,11br)-3-hydroxy-3',4',4',6',10-pentamethyl-11-oxo-1,2,3,3a',4,4',5',6,6',6a,6b,7,7',7a',8,11,11a,11b-octadecahydro-3'h-spiro[benzo[a]fluorene-9,2'-furo[3,2-b]pyridin[4]ium] iodide, Veratramanium, 17,23-epoxy-3-hydroxy-28,28-dimethyl-11-oxo-, iodide, (3-beta,23-beta)-, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-3-Hydroxy-3',4',4',6',10-pentamethyl-11-oxo-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3'H-spiro[benzo[a]fluorene-9,2'-furo[3,2-b]pyridin[4]ium] iodide
| Molecular Formula | C28H42INO3 |
|---|---|
| Molecular Weight | 567.22 g/mol |
| LogP | 1.2816 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 567.22095 |
| Heavy Atoms | 33 |
| Complexity | 902.0 |
Chemical Identifiers
| CAS Number | 68114-93-2 |
|---|---|
| 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@@H]6[C@H]5C(=O)C4=C3C)O)C)[N+](C1)(C)C.[I-] |
| InChIKey | HSVICWFRZQVEQN-XTFUIPKOSA-M |
Product Overview
N-Methyljervine methiodide (CAS 68114-93-2), with molecular formula C28H42INO3 and molecular weight 567.22 g/mol. IUPAC: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',4',4',6',10-pentamethylspiro[2,3,4,6,6a,6b,7,8,11a,11b-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-4-ium]-11-one iodide.
Chemical Property Profile of N-Methyljervine methiodide
Property Insights of N-Methyljervine methiodide
The XLogP value of 1.2816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyljervine methiodide. With a topological polar surface area (TPSA) of 46.5 Ų, N-Methyljervine methiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyljervine methiodide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Methyljervine methiodide?
The CAS number of N-Methyljervine methiodide is 68114-93-2.
What is the molecular formula of N-Methyljervine methiodide?
The molecular formula of N-Methyljervine methiodide is C28H42INO3.
What is the molecular weight of N-Methyljervine methiodide?
The molecular weight of N-Methyljervine methiodide is 567.22 g/mol.
Where can I buy N-Methyljervine methiodide?
You can request a quote for N-Methyljervine methiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyljervine methiodide?
Yes, KEHONG BIO provides custom synthesis services for N-Methyljervine methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.