RefChem:505467
TL;DR: RefChem:505467 (CAS 70085-02-8) is a chemical compound with molecular formula C23H29N3O4S and molecular weight 443.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1-(2-hydroxyethyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-5-(2-methylpropanoyl)thiophene-3-carboxylate
Also Known As: J1.602.788J, 3-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-((1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl)azo)-, methyl ester, 2-(1,2,3,4-Tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl)azo)-5-(2-methyl-1-oxopropyl)-3-carbomethoxythiophene, 3-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-(2-(1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl)diazenyl)-, methyl ester, 3-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-[[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl]azo]-, methyl ester
| Molecular Formula | C23H29N3O4S |
|---|---|
| Molecular Weight | 443.19 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.18787 |
| Heavy Atoms | 31 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 70085-02-8 |
|---|---|
| SMILES | CC1CCC2=C(N1CCO)C=C(C(=C2)N=NC3=C(C=C(S3)C(=O)C(C)C)C(=O)OC)C |
| InChIKey | RUWCXVKHFMTLPL-UHFFFAOYSA-N |
Product Overview
RefChem:505467 (CAS 70085-02-8), with molecular formula C23H29N3O4S and molecular weight 443.19 g/mol. IUPAC: methyl 2-[[1-(2-hydroxyethyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-5-(2-methylpropanoyl)thiophene-3-carboxylate.
Chemical Property Profile of RefChem:505467
Property Insights of RefChem:505467
The XLogP value of 5.3 indicates that RefChem:505467 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:505467. Following Lipinski's Rule of Five, RefChem:505467 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:505467?
The CAS number of RefChem:505467 is 70085-02-8.
What is the molecular formula of RefChem:505467?
The molecular formula of RefChem:505467 is C23H29N3O4S.
What is the molecular weight of RefChem:505467?
The molecular weight of RefChem:505467 is 443.19 g/mol.
Where can I buy RefChem:505467?
You can request a quote for RefChem:505467 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505467?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505467 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.