1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate
TL;DR: 1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate (CAS 65285-55-4) is a chemical compound with molecular formula C21H26N2O7S and molecular weight 450.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;methyl (4S,5R)-2-oxo-6-(3-oxobutyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraene-4-carboxylate
Also Known As: 1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate, 1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate, Methanesulfonic acid--methyl (3aR,4S)-6-oxo-3-(3-oxobutyl)-2,3,3a,4,5,6-hexahydro-1H-indolo[3,2,1-de][1,5]naphthyridine-4-carboxylate (1/1), RefChem:239195
| Molecular Formula | C21H26N2O7S |
|---|---|
| Molecular Weight | 450.15 g/mol |
| LogP | 1.8567 |
| Topological Polar Surface Area | 122.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.14606 |
| Heavy Atoms | 31 |
| Complexity | 1128.0449 |
Chemical Identifiers
| CAS Number | 65285-55-4 |
|---|---|
| SMILES | CC(=O)CCN1CCC2=C3[C@H]1[C@H](CC(=O)N3C4=CC=CC=C24)C(=O)OC.CS(=O)(=O)O |
Product Overview
1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate (CAS 65285-55-4), with molecular formula C21H26N2O7S and molecular weight 450.15 g/mol. IUPAC: methanesulfonic acid;methyl (4S,5R)-2-oxo-6-(3-oxobutyl)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraene-4-carboxylate.
Chemical Property Profile of 1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate
Property Insights of 1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate
The XLogP value of 1.8567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate. The TPSA of 122.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate. Following Lipinski's Rule of Five, 1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate has 1 hydrogen bond donor(s) and 7 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 1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate?
The CAS number of 1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate is 65285-55-4.
What is the molecular formula of 1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate?
The molecular formula of 1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate is C21H26N2O7S.
What is the molecular weight of 1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate?
The molecular weight of 1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate is 450.15 g/mol.
Where can I buy 1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate?
You can request a quote for 1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indolo(3,2,1-de)(1,5)naphthyridine-4-carboxylic acid, 2,3,3a,,4,5,6-hexahydro-6-oxo-3-(3-oxobutyl)-, methyl ester, cis-, monomethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.