Mdl 27788
TL;DR: Mdl 27788 (CAS 116360-59-9) is a chemical compound with molecular formula C24H26N2O5S and molecular weight 454.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,7S,12bS)-7-[[(1S)-1-carboxy-3-phenylpropyl]amino]-6-oxo-1,3,4,7,8,12b-hexahydro-[1,4]thiazino[3,4-a][2]benzazepine-4-carboxylic acid
Also Known As: Mdl 27788, Mdl-27,788, 7-(1-Carboxy-3-phenylpropyl)amino-3,4,6,7,8,12b-hexahydro-6-oxo-1H-(1,4)thiazino(3,4-a)-2-benzazepine-4-carboxylic acid, (4R,7S,12bS)-7-[[(1S)-1-carboxy-3-phenylpropyl]amino]-6-oxo-1,3,4,7,8,12b-hexahydro-[1,4]thiazino[3,4-a][2]benzazepine-4-carboxylic acid, 1H-(1,4)Thiazino(3,4-a)(2)benzazepine-4-carboxylic acid, 7-((1-carboxy-3-phenylpropyl)amino)-3,4,6,7,8,12b-hexahydro-6-oxo-, (4R-(4alpha,7alpha(S*),12beta))-
| Molecular Formula | C24H26N2O5S |
|---|---|
| Molecular Weight | 454.16 g/mol |
| LogP | 2.3566 |
| Topological Polar Surface Area | 106.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.15625 |
| Heavy Atoms | 32 |
| Complexity | 998.8939 |
Chemical Identifiers
| CAS Number | 116360-59-9 |
|---|---|
| SMILES | C1[C@@H](C(=O)N2[C@H](CSC[C@H]2C(=O)O)C3=CC=CC=C31)N[C@@H](CCC4=CC=CC=C4)C(=O)O |
Product Overview
Mdl 27788 (CAS 116360-59-9), with molecular formula C24H26N2O5S and molecular weight 454.16 g/mol. IUPAC: (4R,7S,12bS)-7-[[(1S)-1-carboxy-3-phenylpropyl]amino]-6-oxo-1,3,4,7,8,12b-hexahydro-[1,4]thiazino[3,4-a][2]benzazepine-4-carboxylic acid.
Chemical Property Profile of Mdl 27788
Property Insights of Mdl 27788
The XLogP value of 2.3566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mdl 27788. The TPSA of 106.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Mdl 27788. Following Lipinski's Rule of Five, Mdl 27788 has 3 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 27788?
The CAS number of Mdl 27788 is 116360-59-9.
What is the molecular formula of Mdl 27788?
The molecular formula of Mdl 27788 is C24H26N2O5S.
What is the molecular weight of Mdl 27788?
The molecular weight of Mdl 27788 is 454.16 g/mol.
Where can I buy Mdl 27788?
You can request a quote for Mdl 27788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 27788?
Yes, KEHONG BIO provides custom synthesis services for Mdl 27788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.