Coumidine hydrochloride
TL;DR: Coumidine hydrochloride (CAS 59590-83-9) is a chemical compound with molecular formula C29H50ClNO6 and molecular weight 543.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7Z)-7-[2-[2-(dimethylamino)ethoxy]-2-oxoethylidene]-9-hydroxy-1,1,4a,8-tetramethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthren-2-yl] 3-hydroxy-3-methylbutanoate;hydrochloride
Also Known As: Coumidine hydrochloride, 8-beta-Podocarpane-delta(sup 13,alpha)-acetic acid, 3-beta,7-beta-dihydroxy-14-methyl-, 2-(dimethylamino)ethyl ester, 3-(3-hydroxy-3-methylbutyrate), hydrochloride, [(7Z)-7-[2-(2-dimethylaminoethyloxy)-2-oxoethylidene]-9-hydroxy-1,1,4a,8-tetramethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthren-2-yl] 3-hydroxy-3-methylbutanoate hydrochloride, Butanoic acid, 3-hydroxy-3-methyl-, 7-[2-[2-(dimethylamino)ethoxy]-2-oxoethylidene]tetradecahydro-9-hydroxy-1,1,4a,8-tetramethyl-2-phenanthrenyl ester, hydrochloride, [2S-(2.alpha.,4a.alpha.,4b.beta.,7E,8.beta.,8a.alpha.,9.alpha.,10a.beta.)]-
| Molecular Formula | C29H50ClNO6 |
|---|---|
| Molecular Weight | 543.33 g/mol |
| LogP | 4.3816 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 543.33264 |
| Heavy Atoms | 37 |
| Complexity | 849.82513 |
Chemical Identifiers
| CAS Number | 59590-83-9 |
|---|---|
| SMILES | CC\1C2C(CC/C1=C/C(=O)OCCN(C)C)C3(CCC(C(C3CC2O)(C)C)OC(=O)CC(C)(C)O)C.Cl |
Product Overview
Coumidine hydrochloride (CAS 59590-83-9), with molecular formula C29H50ClNO6 and molecular weight 543.33 g/mol. IUPAC: [(7Z)-7-[2-[2-(dimethylamino)ethoxy]-2-oxoethylidene]-9-hydroxy-1,1,4a,8-tetramethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthren-2-yl] 3-hydroxy-3-methylbutanoate;hydrochloride.
Chemical Property Profile of Coumidine hydrochloride
Property Insights of Coumidine hydrochloride
The XLogP value of 4.3816 indicates that Coumidine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumidine hydrochloride. Following Lipinski's Rule of Five, Coumidine 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 Coumidine hydrochloride?
The CAS number of Coumidine hydrochloride is 59590-83-9.
What is the molecular formula of Coumidine hydrochloride?
The molecular formula of Coumidine hydrochloride is C29H50ClNO6.
What is the molecular weight of Coumidine hydrochloride?
The molecular weight of Coumidine hydrochloride is 543.33 g/mol.
Where can I buy Coumidine hydrochloride?
You can request a quote for Coumidine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumidine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Coumidine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.