Mdl 100240
TL;DR: Mdl 100240 (CAS 142695-08-7) is a chemical compound with molecular formula C26H28N2O5S and molecular weight 480.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,7S,12bR)-7-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
Also Known As: Mdl 100240, Mdl 100,240, Mdl 100,142, M-100240, M 100240 [WHO-DD]
| Molecular Formula | C26H28N2O5S |
|---|---|
| Molecular Weight | 480.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.1719 |
| Heavy Atoms | 34 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 142695-08-7 |
|---|---|
| SMILES | CC(=O)S[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2CC3=CC=CC=C3[C@H]4CCC[C@H](N4C2=O)C(=O)O |
| InChIKey | AIEZUMPHACQOGT-BJESRGMDSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mdl 100240 (CAS 142695-08-7), with molecular formula C26H28N2O5S and molecular weight 480.17 g/mol. IUPAC: (4S,7S,12bR)-7-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]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 100240
Property Insights of Mdl 100240
The XLogP value of 3.6 indicates that Mdl 100240 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mdl 100240. Following Lipinski's Rule of Five, Mdl 100240 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 Mdl 100240?
The CAS number of Mdl 100240 is 142695-08-7.
What is the molecular formula of Mdl 100240?
The molecular formula of Mdl 100240 is C26H28N2O5S.
What is the molecular weight of Mdl 100240?
The molecular weight of Mdl 100240 is 480.17 g/mol.
Where can I buy Mdl 100240?
You can request a quote for Mdl 100240 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 100240?
Yes, KEHONG BIO provides custom synthesis services for Mdl 100240 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.