Nimelan
TL;DR: Nimelan (CAS 3194-25-0) is a chemical compound with molecular formula C31H27N3O5 and molecular weight 521.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,4aR,7S,7aR,12bS)-3-prop-2-enyl-9-(pyridine-3-carbonyloxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] pyridine-3-carboxylate
Also Known As: Nimelan, Nalorphine dinicotinate, 17-(Prop-2-en-1-yl)-5alpha,6alpha,9alpha-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl dipyridine-3-carboxylate
| Molecular Formula | C31H27N3O5 |
|---|---|
| Molecular Weight | 521.20 g/mol |
| LogP | 3.9226 |
| Topological Polar Surface Area | 90.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.19507 |
| Heavy Atoms | 39 |
| Complexity | 1490.819 |
Chemical Identifiers
| CAS Number | 3194-25-0 |
|---|---|
| SMILES | C=CCN1CC[C@]23[C@@H]4[C@@H]1CC5=C2C(=C(C=C5)OC(=O)C6=CN=CC=C6)O[C@H]3[C@H](C=C4)OC(=O)C7=CN=CC=C7 |
Product Overview
Nimelan (CAS 3194-25-0), with molecular formula C31H27N3O5 and molecular weight 521.20 g/mol. IUPAC: [(4S,4aR,7S,7aR,12bS)-3-prop-2-enyl-9-(pyridine-3-carbonyloxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] pyridine-3-carboxylate.
Chemical Property Profile of Nimelan
Property Insights of Nimelan
The XLogP value of 3.9226 indicates that Nimelan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.85 Ų falls within the moderate polarity range, balancing permeability and solubility for Nimelan. Following Lipinski's Rule of Five, Nimelan has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nimelan?
The CAS number of Nimelan is 3194-25-0.
What is the molecular formula of Nimelan?
The molecular formula of Nimelan is C31H27N3O5.
What is the molecular weight of Nimelan?
The molecular weight of Nimelan is 521.20 g/mol.
Where can I buy Nimelan?
You can request a quote for Nimelan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nimelan?
Yes, KEHONG BIO provides custom synthesis services for Nimelan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.