Mdl 27210
TL;DR: Mdl 27210 (CAS 111581-94-3) is a chemical compound with molecular formula C27H32N2O5 and molecular weight 464.2311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(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
Technical Specifications
| Molecular Formula | C27H32N2O5 |
| Molecular Weight | 464.2311 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 464.2311 Da |
| Heavy Atoms | 34 |
| Complexity | 722.0 |
| 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 |
| InChIKey | DWLMFLPIKHXXIA-XQUALCHDSA-N |
Chemical Property Profile of Mdl 27210
Property Insights of Mdl 27210
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mdl 27210. The TPSA of 95.9 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 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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 464.2311 g/mol.
Where can I buy Mdl 27210?
You can request a quote for Mdl 27210 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Mdl 27210?
Yes, CoreyChem provides custom synthesis services for Mdl 27210 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.