RefChem:1054745
TL;DR: RefChem:1054745 (CAS 5090-29-9) is a chemical compound with molecular formula C29H38ClN3O9 and molecular weight 607.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-piperidin-1-yl-3-(5,6,7-trimethoxy-1-oxophthalazin-2-yl)propan-2-yl] 3,4,5-trimethoxybenzoate;hydrochloride
Also Known As: Benzoic acid, 3,4,5-trimethoxy-, 1-(1-piperidinylmethyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride, [1-3- propan-2-yl]3,4,5-trimethoxybenzoatehydrochloride, [1- -3- propan-2-yl]3,4,5-trimethoxybenzoatehydrochloride, 1-(Piperidin-1-yl)-3-(5,6,7-trimethoxy-1-oxophthalazin-2(1H)-yl)propan-2-yl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1), 3,3'-(2-oxodihydropyrimidine-1,3(2h,4h)-diyl)bis(2,2-dimethylpropanoic acid)
| Molecular Formula | C29H38ClN3O9 |
|---|---|
| Molecular Weight | 607.23 g/mol |
| LogP | 3.5814 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 607.2297 |
| Heavy Atoms | 42 |
| Complexity | 872.0 |
Chemical Identifiers
| CAS Number | 5090-29-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC(CN2CCCCC2)CN3C(=O)C4=CC(=C(C(=C4C=N3)OC)OC)OC.Cl |
| InChIKey | SURWLLPUTKGPRM-UHFFFAOYSA-N |
Product Overview
RefChem:1054745 (CAS 5090-29-9), with molecular formula C29H38ClN3O9 and molecular weight 607.23 g/mol. IUPAC: [1-piperidin-1-yl-3-(5,6,7-trimethoxy-1-oxophthalazin-2-yl)propan-2-yl] 3,4,5-trimethoxybenzoate;hydrochloride.
Chemical Property Profile of RefChem:1054745
Property Insights of RefChem:1054745
The XLogP value of 3.5814 indicates that RefChem:1054745 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1054745. Following Lipinski's Rule of Five, RefChem:1054745 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1054745?
The CAS number of RefChem:1054745 is 5090-29-9.
What is the molecular formula of RefChem:1054745?
The molecular formula of RefChem:1054745 is C29H38ClN3O9.
What is the molecular weight of RefChem:1054745?
The molecular weight of RefChem:1054745 is 607.23 g/mol.
Where can I buy RefChem:1054745?
You can request a quote for RefChem:1054745 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054745?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054745 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.