Desaminodesmethyllavendamycin methyl ester
TL;DR: Desaminodesmethyllavendamycin methyl ester (CAS 104145-44-0) is a chemical compound with molecular formula C22H13N3O4 and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(5,8-dioxoquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: Desaminodesmethyllavendamycin methyl ester, 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(5,8-dihydro-5,8-dioxo-2-quinolinyl)-, methyl ester, 1-(5,8-Dihydro-5,8-dioxo-2-quinolinyl)-9H-pyrido(3,4-b)indole-3-carboxylic acid methyl ester, methyl 1-(5,8-dioxoquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate, METHYL 1-(5,8-DIOXO-5,8-DIHYDROQUINOLIN-2-YL)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLATE
| Molecular Formula | C22H13N3O4 |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 3.4999 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.0906 |
| Heavy Atoms | 29 |
| Complexity | 1398.2245 |
Chemical Identifiers
| CAS Number | 104145-44-0 |
|---|---|
| SMILES | COC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=NC5=C(C=C4)C(=O)C=CC5=O |
Product Overview
Desaminodesmethyllavendamycin methyl ester (CAS 104145-44-0), with molecular formula C22H13N3O4 and molecular weight 383.09 g/mol. IUPAC: methyl 1-(5,8-dioxoquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate.
Chemical Property Profile of Desaminodesmethyllavendamycin methyl ester
Property Insights of Desaminodesmethyllavendamycin methyl ester
The XLogP value of 3.4999 indicates that Desaminodesmethyllavendamycin methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Desaminodesmethyllavendamycin methyl ester. Following Lipinski's Rule of Five, Desaminodesmethyllavendamycin methyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Desaminodesmethyllavendamycin methyl ester?
The CAS number of Desaminodesmethyllavendamycin methyl ester is 104145-44-0.
What is the molecular formula of Desaminodesmethyllavendamycin methyl ester?
The molecular formula of Desaminodesmethyllavendamycin methyl ester is C22H13N3O4.
What is the molecular weight of Desaminodesmethyllavendamycin methyl ester?
The molecular weight of Desaminodesmethyllavendamycin methyl ester is 383.09 g/mol.
Where can I buy Desaminodesmethyllavendamycin methyl ester?
You can request a quote for Desaminodesmethyllavendamycin methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desaminodesmethyllavendamycin methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Desaminodesmethyllavendamycin methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.