ML397
TL;DR: ML397 (CAS 731006-86-3) is a chemical compound with molecular formula C24H24N2O4S and molecular weight 436.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-[2-(4-acetamidophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate
Also Known As: ML397, ML 397, EX-A4984, methyl 4-[3-[2-(4-acetamidophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate, VU 0155094
| Molecular Formula | C24H24N2O4S |
|---|---|
| Molecular Weight | 436.15 g/mol |
| LogP | 4.81414 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.1457 |
| Heavy Atoms | 31 |
| Complexity | 1115.7311 |
Chemical Identifiers
| CAS Number | 731006-86-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=CC=C(C=C3)NC(=O)C |
Product Overview
ML397 (CAS 731006-86-3), with molecular formula C24H24N2O4S and molecular weight 436.15 g/mol. IUPAC: methyl 4-[3-[2-(4-acetamidophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate.
Chemical Property Profile of ML397
Property Insights of ML397
The XLogP value of 4.81414 indicates that ML397 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ML397. Following Lipinski's Rule of Five, ML397 has 1 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 ML397?
The CAS number of ML397 is 731006-86-3.
What is the molecular formula of ML397?
The molecular formula of ML397 is C24H24N2O4S.
What is the molecular weight of ML397?
The molecular weight of ML397 is 436.15 g/mol.
Where can I buy ML397?
You can request a quote for ML397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML397?
Yes, KEHONG BIO provides custom synthesis services for ML397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.