ML119
TL;DR: ML119 (CAS 1815600-05-5) is a chemical compound with molecular formula C20H10BrN3O4S and molecular weight 466.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(Z)-(10-bromo-3-oxo-5-thia-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-4-ylidene)methyl]furan-2-yl]benzoic acid
Also Known As: AH-487/11779125, 357302-57-9 (E/Z), 2-[5-[(Z)-(3-bromo-8-oxo-[1,3]thiazolo[4,5]imidazo[1,2-b]pyridin-7-ylidene)methyl]furan-2-yl]benzoic acid, 2-{5-[(7-bromo-3-oxo[1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-2(3H)-ylidene)methyl]-2-furyl}benzoic acid, (Z)-2-(5-((7-Bromo-3-oxothiazolo[2',3':2,3]imidazo[4,5-b]pyridin-2(3H)-ylidene)methyl)furan-2-yl)benzoic acid
| Molecular Formula | C20H10BrN3O4S |
|---|---|
| Molecular Weight | 466.96 g/mol |
| LogP | 3.5726 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.95755 |
| Heavy Atoms | 29 |
| Complexity | 1532.6847 |
Chemical Identifiers
| CAS Number | 1815600-05-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC=C(O2)/C=C\3/C(=O)N4C5=C(C=C(C=N5)Br)N=C4S3)C(=O)O |
Product Overview
ML119 (CAS 1815600-05-5), with molecular formula C20H10BrN3O4S and molecular weight 466.96 g/mol. IUPAC: 2-[5-[(Z)-(10-bromo-3-oxo-5-thia-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-4-ylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of ML119
Property Insights of ML119
The XLogP value of 3.5726 indicates that ML119 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ML119. Following Lipinski's Rule of Five, ML119 has 1 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 ML119?
The CAS number of ML119 is 1815600-05-5.
What is the molecular formula of ML119?
The molecular formula of ML119 is C20H10BrN3O4S.
What is the molecular weight of ML119?
The molecular weight of ML119 is 466.96 g/mol.
Where can I buy ML119?
You can request a quote for ML119 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML119?
Yes, KEHONG BIO provides custom synthesis services for ML119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.