Mdl 27210
TL;DR: Mdl 27210 (CAS 111581-94-3) is a chemical compound with molecular formula C27H32N2O5 and molecular weight 464.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,7S,12bR)-7-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
Also Known As: Mdl 27210, (4S,7S,12bR)-7-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid, Pyrido(2,1-a)(2)benzazepine-4-carboxylic acid, 7-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1,2,3,4,6,7,8,12b-octahydro-6-oxo-, (4S-(4alpha,7alpha(R*),12bbeta))-, 7-(Ethoxycarbonyl-3-phenylpropyl)amino-1,2,3,4,6,7,8,12b-octahydro-6-oxopyrido(2,1-a)(2)benzazepine-4-carboxylic acid, (2R,6S,9S)-9-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-8-oxo-7-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene-6-carboxylic acid
| Molecular Formula | C27H32N2O5 |
|---|---|
| Molecular Weight | 464.23 g/mol |
| LogP | 3.2722 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.2311 |
| Heavy Atoms | 34 |
| Complexity | 1024.6903 |
Chemical Identifiers
| CAS Number | 111581-94-3 |
|---|---|
| SMILES | CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CC3=CC=CC=C3[C@H]4CCC[C@H](N4C2=O)C(=O)O |
Product Overview
Mdl 27210 (CAS 111581-94-3), with molecular formula C27H32N2O5 and molecular weight 464.23 g/mol. IUPAC: (4S,7S,12bR)-7-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid.
Chemical Property Profile of Mdl 27210
Property Insights of Mdl 27210
The XLogP value of 3.2722 indicates that Mdl 27210 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Mdl 27210. Following Lipinski's Rule of Five, Mdl 27210 has 2 hydrogen bond donor(s) and 5 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 Mdl 27210?
The CAS number of Mdl 27210 is 111581-94-3.
What is the molecular formula of Mdl 27210?
The molecular formula of Mdl 27210 is C27H32N2O5.
What is the molecular weight of Mdl 27210?
The molecular weight of Mdl 27210 is 464.23 g/mol.
Where can I buy Mdl 27210?
You can request a quote for Mdl 27210 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 27210?
Yes, KEHONG BIO provides custom synthesis services for Mdl 27210 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.