Mdl 74270
TL;DR: Mdl 74270 (CAS 128008-97-9) is a chemical compound with molecular formula C27H39NO6S and molecular weight 505.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylazanium;4-methylbenzenesulfonate
Also Known As: Mdl 74270, YM 934, 2-(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylazanium;4-methylbenzenesulfonate, 2H-1-Benzopyran-2-ethanaminium, 6-(acetyloxy)-3,4-dihydro-N,N,N,2,5,7,8-heptamethyl-, salt with 4-methylbenzenesulfonic acid (1:1), 6-Acetyloxy-3,4-dihydro-N,N,N,2,5,7,8-heptamethyl-2H-1-benzopyran-2-ethaniminium 4-methylbenzene sulfonate
| Molecular Formula | C27H39NO6S |
|---|---|
| Molecular Weight | 505.25 g/mol |
| LogP | 4.61628 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.24982 |
| Heavy Atoms | 35 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 128008-97-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C(=C(C2=C1OC(CC2)(C)CC[N+](C)(C)C)C)OC(=O)C)C |
| InChIKey | FUOSWRIOJAAOCD-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mdl 74270 (CAS 128008-97-9), with molecular formula C27H39NO6S and molecular weight 505.25 g/mol. IUPAC: 2-(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylazanium;4-methylbenzenesulfonate.
Chemical Property Profile of Mdl 74270
Property Insights of Mdl 74270
The XLogP value of 4.61628 indicates that Mdl 74270 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mdl 74270. Following Lipinski's Rule of Five, Mdl 74270 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mdl 74270?
The CAS number of Mdl 74270 is 128008-97-9.
What is the molecular formula of Mdl 74270?
The molecular formula of Mdl 74270 is C27H39NO6S.
What is the molecular weight of Mdl 74270?
The molecular weight of Mdl 74270 is 505.25 g/mol.
Where can I buy Mdl 74270?
You can request a quote for Mdl 74270 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 74270?
Yes, KEHONG BIO provides custom synthesis services for Mdl 74270 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.