MDV 1
TL;DR: MDV 1 (CAS 28345-96-2) is a chemical compound with molecular formula C15H17N5O3 and molecular weight 315.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxyethyl)-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine-2,6-dione
Also Known As: MD-VI, Theophylline, 7-(2-hydroxyethyl)-8-(3-pyridylmethyl)-, 7-(2-Hydroxyethyl)-8-(3-pyridylmethyl)theophylline, 5-26-19-00156 (Beilstein Handbook Reference), (Hydroxy-2'' ethyl)-7 (pyridyl-3' methyl)-8 theophylline
| Molecular Formula | C15H17N5O3 |
|---|---|
| Molecular Weight | 315.13 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.13315 |
| Heavy Atoms | 23 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 28345-96-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CN=CC=C3)CCO |
| InChIKey | VHTUHGNVVZPWGO-UHFFFAOYSA-N |
Product Overview
MDV 1 (CAS 28345-96-2), with molecular formula C15H17N5O3 and molecular weight 315.13 g/mol. IUPAC: 7-(2-hydroxyethyl)-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine-2,6-dione.
Chemical Property Profile of MDV 1
Property Insights of MDV 1
The XLogP value of -0.3 indicates that MDV 1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for MDV 1. Following Lipinski's Rule of Five, MDV 1 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 MDV 1?
The CAS number of MDV 1 is 28345-96-2.
What is the molecular formula of MDV 1?
The molecular formula of MDV 1 is C15H17N5O3.
What is the molecular weight of MDV 1?
The molecular weight of MDV 1 is 315.13 g/mol.
Where can I buy MDV 1?
You can request a quote for MDV 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MDV 1?
Yes, KEHONG BIO provides custom synthesis services for MDV 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.