KST-1B2992
TL;DR: KST-1B2992 (CAS 31529-46-1) is a chemical compound with molecular formula C39H49Cl2N3O10 and molecular weight 789.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propan-2-yl] 3,4,5-trimethoxybenzoate;dihydrochloride
Also Known As: KST-1B2992, 1-(7,8-dimethoxy-4-methyl-2-oxo-2h-chromen-3-yl)-3-(4-{2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}piperazin-1-yl)propan-2-yl 3,4,5-trimethoxybenzoate dihydrochloride, Benzoic acid, 3,4,5-trimethoxy-, 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)-1-((4-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-1-piperazinyl)methyl)ethyl ester, dihydrochloride, (4-{3-(7,8-Dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)-2-[(3,4,5-trimethoxybenzoyl)oxy]propyl}piperazin-1-yl)-N-(2,6-dimethylphenyl)ethanimidic acid--hydrogen chloride (1/2), [1-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propan-2-yl] 3,4,5-trimethoxybenzoate dihydrochloride
| Molecular Formula | C39H49Cl2N3O10 |
|---|---|
| Molecular Weight | 789.28 g/mol |
| LogP | 5.62926 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 789.2795 |
| Heavy Atoms | 54 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 31529-46-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(CC3=C(C4=C(C(=C(C=C4)OC)OC)OC3=O)C)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC.Cl.Cl |
| InChIKey | XIMSCLVNIJIHLW-UHFFFAOYSA-N |
Product Overview
KST-1B2992 (CAS 31529-46-1), with molecular formula C39H49Cl2N3O10 and molecular weight 789.28 g/mol. IUPAC: [1-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propan-2-yl] 3,4,5-trimethoxybenzoate;dihydrochloride.
Chemical Property Profile of KST-1B2992
Property Insights of KST-1B2992
The XLogP value of 5.62926 indicates that KST-1B2992 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B2992. Following Lipinski's Rule of Five, KST-1B2992 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B2992?
The CAS number of KST-1B2992 is 31529-46-1.
What is the molecular formula of KST-1B2992?
The molecular formula of KST-1B2992 is C39H49Cl2N3O10.
What is the molecular weight of KST-1B2992?
The molecular weight of KST-1B2992 is 789.28 g/mol.
Where can I buy KST-1B2992?
You can request a quote for KST-1B2992 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B2992?
Yes, KEHONG BIO provides custom synthesis services for KST-1B2992 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.