Chonemorphine dihydrochloride
TL;DR: Chonemorphine dihydrochloride (CAS 96553-96-7) is a chemical compound with molecular formula C23H44Cl2N2 and molecular weight 418.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine;dihydrochloride
Also Known As: Chonemorphine HCl, Chonemorphine dihydrochloride, 1-benzyl-3-carboxamido-6-methylpyridinium bromide, 5alpha-Pregnane-3beta,20alpha-diamine, N20,N20-dimethyl-, dihydrochloride, N~20~,N~20~-Dimethylpregnane-3,20-diamine--hydrogen chloride (1/2)
| Molecular Formula | C23H44Cl2N2 |
|---|---|
| Molecular Weight | 418.29 g/mol |
| LogP | 5.7663 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.28815 |
| Heavy Atoms | 27 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 96553-96-7 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)N)C)C)N(C)C.Cl.Cl |
| InChIKey | JLJIGVDIYQZJBL-AICXAXPFSA-N |
Product Overview
Chonemorphine dihydrochloride (CAS 96553-96-7), with molecular formula C23H44Cl2N2 and molecular weight 418.29 g/mol. IUPAC: (3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine;dihydrochloride.
Chemical Property Profile of Chonemorphine dihydrochloride
Property Insights of Chonemorphine dihydrochloride
The XLogP value of 5.7663 indicates that Chonemorphine dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.3 Ų, Chonemorphine dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chonemorphine dihydrochloride has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chonemorphine dihydrochloride?
The CAS number of Chonemorphine dihydrochloride is 96553-96-7.
What is the molecular formula of Chonemorphine dihydrochloride?
The molecular formula of Chonemorphine dihydrochloride is C23H44Cl2N2.
What is the molecular weight of Chonemorphine dihydrochloride?
The molecular weight of Chonemorphine dihydrochloride is 418.29 g/mol.
Where can I buy Chonemorphine dihydrochloride?
You can request a quote for Chonemorphine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chonemorphine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Chonemorphine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.