2-Propenoic acid, (9k11-dihydro-7-(1-hydroxy-1-(((1-methylethyl)amino)carbonyl)propyl)-9-oxoindolizino(1,2-b)quinolin-8-yl)methyl ester, (S)-
TL;DR: 2-Propenoic acid, (9k11-dihydro-7-(1-hydroxy-1-(((1-methylethyl)amino)carbonyl)propyl)-9-oxoindolizino(1,2-b)quinolin-8-yl)methyl ester, (S)- (CAS 69181-17-5) is a chemical compound with molecular formula C26H27N3O5 and molecular weight 461.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl prop-2-enoate
Also Known As: 2-Propenoic acid, (9k11-dihydro-7-(1-hydroxy-1-(((1-methylethyl)amino)carbonyl)propyl)-9-oxoindolizino(1,2-b)quinolin-8-yl)methyl ester, (S)-, (2S)-2-Hydroxy-2-(9-oxo-8-{[(prop-2-enoyl)oxy]methyl}-9,11-dihydroindolizino[1,2-b]quinolin-7-yl)-N-(propan-2-yl)butanimidic acid, [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl prop-2-enoate, 2-Hydroxy-2-(9-oxo-8-{[(prop-2-enoyl)oxy]methyl}-9,11-dihydroindolizino[1,2-b]quinolin-7-yl)-N-(propan-2-yl)butanimidic acid
| Molecular Formula | C26H27N3O5 |
|---|---|
| Molecular Weight | 461.20 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 461.19507 |
| Heavy Atoms | 34 |
| Complexity | 939.0 |
Chemical Identifiers
| CAS Number | 69181-17-5 |
|---|---|
| SMILES | CC[C@](C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)COC(=O)C=C)(C(=O)NC(C)C)O |
| InChIKey | OEVULZUIGJTQPX-SANMLTNESA-N |
Product Overview
2-Propenoic acid, (9k11-dihydro-7-(1-hydroxy-1-(((1-methylethyl)amino)carbonyl)propyl)-9-oxoindolizino(1,2-b)quinolin-8-yl)methyl ester, (S)- (CAS 69181-17-5), with molecular formula C26H27N3O5 and molecular weight 461.20 g/mol. IUPAC: [7-[(2S)-2-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, (9k11-dihydro-7-(1-hydroxy-1-(((1-methylethyl)amino)carbonyl)propyl)-9-oxoindolizino(1,2-b)quinolin-8-yl)methyl ester, (S)-
Property Insights of 2-Propenoic acid, (9k11-dihydro-7-(1-hydroxy-1-(((1-methylethyl)amino)carbonyl)propyl)-9-oxoindolizino(1,2-b)quinolin-8-yl)methyl ester, (S)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, (9k11-dihydro-7-(1-hydroxy-1-(((1-methylethyl)amino)carbonyl)propyl)-9-oxoindolizino(1,2-b)quinolin-8-yl)methyl ester, (S)-. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, (9k11-dihydro-7-(1-hydroxy-1-(((1-methylethyl)amino)carbonyl)propyl)-9-oxoindolizino(1,2-b)quinolin-8-yl)methyl ester, (S)-. Following Lipinski's Rule of Five, 2-Propenoic acid, (9k11-dihydro-7-(1-hydroxy-1-(((1-methylethyl)amino)carbonyl)propyl)-9-oxoindolizino(1,2-b)quinolin-8-yl)methyl ester, (S)- has 2 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 2-Propenoic acid, (9k11-dihydro-7-(1-hydroxy-1-(((1-methylethyl)amino)carbonyl)propyl)-9-oxoindolizino(1,2-b)quinolin-8-yl)methyl ester, (S)-?
The CAS number of 2-Propenoic acid, (9k11-dihydro-7-(1-hydroxy-1-(((1-methylethyl)amino)carbonyl)propyl)-9-oxoindolizino(1,2-b)quinolin-8-yl)methyl ester, (S)- is 69181-17-5.
What is the molecular formula of 2-Propenoic acid, (9k11-dihydro-7-(1-hydroxy-1-(((1-methylethyl)amino)carbonyl)propyl)-9-oxoindolizino(1,2-b)quinolin-8-yl)methyl ester, (S)-?
The molecular formula of 2-Propenoic acid, (9k11-dihydro-7-(1-hydroxy-1-(((1-methylethyl)amino)carbonyl)propyl)-9-oxoindolizino(1,2-b)quinolin-8-yl)methyl ester, (S)- is C26H27N3O5.
What is the molecular weight of 2-Propenoic acid, (9k11-dihydro-7-(1-hydroxy-1-(((1-methylethyl)amino)carbonyl)propyl)-9-oxoindolizino(1,2-b)quinolin-8-yl)methyl ester, (S)-?
The molecular weight of 2-Propenoic acid, (9k11-dihydro-7-(1-hydroxy-1-(((1-methylethyl)amino)carbonyl)propyl)-9-oxoindolizino(1,2-b)quinolin-8-yl)methyl ester, (S)- is 461.20 g/mol.
Where can I buy 2-Propenoic acid, (9k11-dihydro-7-(1-hydroxy-1-(((1-methylethyl)amino)carbonyl)propyl)-9-oxoindolizino(1,2-b)quinolin-8-yl)methyl ester, (S)-?
You can request a quote for 2-Propenoic acid, (9k11-dihydro-7-(1-hydroxy-1-(((1-methylethyl)amino)carbonyl)propyl)-9-oxoindolizino(1,2-b)quinolin-8-yl)methyl ester, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, (9k11-dihydro-7-(1-hydroxy-1-(((1-methylethyl)amino)carbonyl)propyl)-9-oxoindolizino(1,2-b)quinolin-8-yl)methyl ester, (S)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, (9k11-dihydro-7-(1-hydroxy-1-(((1-methylethyl)amino)carbonyl)propyl)-9-oxoindolizino(1,2-b)quinolin-8-yl)methyl ester, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.