Coumingine hydrochloride
TL;DR: Coumingine hydrochloride (CAS 22149-23-1) is a chemical compound with molecular formula C29H48ClNO6 and molecular weight 541.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-[2-[2-(dimethylamino)ethoxy]-2-oxoethylidene]-1,1,4a,8-tetramethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-2-yl] 3-hydroxy-3-methylbutanoate;hydrochloride
Also Known As: Coumingine hydrochloride, [7-[2-(2-dimethylaminoethyloxy)-2-oxoethylidene]-1,1,4a,8-tetramethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-2-yl] 3-hydroxy-3-methylbutanoate hydrochloride, 13-{2-[2-(Dimethylamino)ethoxy]-2-oxoethylidene}-14-methyl-7-oxopodocarpan-3-yl 3-hydroxy-3-methylbutanoate--hydrogen chloride (1/1), 8-beta-Podocarpane-delta(sup 13,alpha)-acetic acid, 3-beta-hydroxy-14-methyl-7-oxo-, 2-(dimethylamino)ethyl ester, 3-hydroxy-3-methylbutyrate (ester), hydrochloride, Butanoic acid, 3-hydroxy-3-methyl-, 7-(2-(2-(dimethylamino)ethoxy)-2-oxoethylidene)tetrahydro-1,1,4a,8-tetramethyl-9-oxo-2-phenanthrenyl ester, hydrochloride, (2S-(2alpha,4aalpha,4bbeta,8beta,8aalpha,10aalpha))-
| Molecular Formula | C29H48ClNO6 |
|---|---|
| Molecular Weight | 541.32 g/mol |
| LogP | 4.59 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 541.317 |
| Heavy Atoms | 37 |
| Complexity | 890.0 |
Chemical Identifiers
| CAS Number | 22149-23-1 |
|---|---|
| SMILES | CC1C2C(CCC1=CC(=O)OCCN(C)C)C3(CCC(C(C3CC2=O)(C)C)OC(=O)CC(C)(C)O)C.Cl |
| InChIKey | UPIRBQTUKNVAGI-UHFFFAOYSA-N |
Product Overview
Coumingine hydrochloride (CAS 22149-23-1), with molecular formula C29H48ClNO6 and molecular weight 541.32 g/mol. IUPAC: [7-[2-[2-(dimethylamino)ethoxy]-2-oxoethylidene]-1,1,4a,8-tetramethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-2-yl] 3-hydroxy-3-methylbutanoate;hydrochloride.
Chemical Property Profile of Coumingine hydrochloride
Property Insights of Coumingine hydrochloride
The XLogP value of 4.59 indicates that Coumingine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumingine hydrochloride. Following Lipinski's Rule of Five, Coumingine hydrochloride has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Coumingine hydrochloride?
The CAS number of Coumingine hydrochloride is 22149-23-1.
What is the molecular formula of Coumingine hydrochloride?
The molecular formula of Coumingine hydrochloride is C29H48ClNO6.
What is the molecular weight of Coumingine hydrochloride?
The molecular weight of Coumingine hydrochloride is 541.32 g/mol.
Where can I buy Coumingine hydrochloride?
You can request a quote for Coumingine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumingine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Coumingine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.