Mdl 27088
TL;DR: Mdl 27088 (CAS 111581-85-2) is a chemical compound with molecular formula C25H28N2O5 and molecular weight 436.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,7S,12bR)-7-[[(1S)-1-carboxy-3-phenylpropyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
Also Known As: Mdl 27088, Mdl-27,088, (4S,7S,12bR)-7-[[(1S)-1-carboxy-3-phenylpropyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid, 7-(1-Carboxy-3-phenylpropyl)amino-1,2,3,4,6,7,8,12b-octahydro-6-oxopyrido(2,1a)-2-benzazepine-4-carboxylic acid, Pyrido(2,1-a)(2)benzazepine-4-carboxylic acid, 7-((1-carboxy-3-phenylpropyl)amino)-1,2,3,4,6,7,8,12a-octahydro-6-oxo-, (4S-(4alpha,7alpha(R*),12bbeta))-
| Molecular Formula | C25H28N2O5 |
|---|---|
| Molecular Weight | 436.20 g/mol |
| LogP | 2.7937 |
| Topological Polar Surface Area | 106.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.19983 |
| Heavy Atoms | 32 |
| Complexity | 992.8366 |
Chemical Identifiers
| CAS Number | 111581-85-2 |
|---|---|
| SMILES | C1C[C@@H]2C3=CC=CC=C3C[C@@H](C(=O)N2[C@@H](C1)C(=O)O)N[C@@H](CCC4=CC=CC=C4)C(=O)O |
Product Overview
Mdl 27088 (CAS 111581-85-2), with molecular formula C25H28N2O5 and molecular weight 436.20 g/mol. IUPAC: (4S,7S,12bR)-7-[[(1S)-1-carboxy-3-phenylpropyl]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 27088
Property Insights of Mdl 27088
The XLogP value of 2.7937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mdl 27088. The TPSA of 106.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Mdl 27088. Following Lipinski's Rule of Five, Mdl 27088 has 3 hydrogen bond donor(s) and 4 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 27088?
The CAS number of Mdl 27088 is 111581-85-2.
What is the molecular formula of Mdl 27088?
The molecular formula of Mdl 27088 is C25H28N2O5.
What is the molecular weight of Mdl 27088?
The molecular weight of Mdl 27088 is 436.20 g/mol.
Where can I buy Mdl 27088?
You can request a quote for Mdl 27088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 27088?
Yes, KEHONG BIO provides custom synthesis services for Mdl 27088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.