ML 1035
TL;DR: ML 1035 (CAS 6310-64-1) is a chemical compound with molecular formula C18H19ClN4O6 and molecular weight 422.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl] 2-(4-chlorophenoxy)acetate
Also Known As: ML-1035[hypolipemic agent], 1-(7-Theophyllinyl)-2-hydroxy-3-propyl (p-chlorophenoxyacetate), Acetic acid, (4-chlorophenoxy)-, 2-hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl ester, [3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl] 2-(4-chlorophenoxy)acetate, 1-(Theophyllin-7-yl)-2-hydroxypropyl-3-(p-chlorphenoxy)-acetat
| Molecular Formula | C18H19ClN4O6 |
|---|---|
| Molecular Weight | 422.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 422.0993 |
| Heavy Atoms | 29 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 6310-64-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COC(=O)COC3=CC=C(C=C3)Cl)O |
| InChIKey | YMCNTAHTWKEECY-UHFFFAOYSA-N |
Product Overview
ML 1035 (CAS 6310-64-1), with molecular formula C18H19ClN4O6 and molecular weight 422.10 g/mol. IUPAC: [3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl] 2-(4-chlorophenoxy)acetate.
Chemical Property Profile of ML 1035
Property Insights of ML 1035
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ML 1035. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ML 1035. Following Lipinski's Rule of Five, ML 1035 has 1 hydrogen bond donor(s) and 7 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 ML 1035?
The CAS number of ML 1035 is 6310-64-1.
What is the molecular formula of ML 1035?
The molecular formula of ML 1035 is C18H19ClN4O6.
What is the molecular weight of ML 1035?
The molecular weight of ML 1035 is 422.10 g/mol.
Where can I buy ML 1035?
You can request a quote for ML 1035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML 1035?
Yes, KEHONG BIO provides custom synthesis services for ML 1035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.