NV 14
TL;DR: NV 14 (CAS 28345-98-4) is a chemical compound with molecular formula C15H15N5O4 and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,3-dimethyl-2,6-dioxo-8-(pyridin-3-ylmethyl)purin-7-yl]acetic acid
Also Known As: Theophylline, 7-carboxymethyl-9-(3-pyridylmethyl)-, 5-26-19-00156 (Beilstein Handbook Reference), (Carboxy-methyl)-7 (pyridyl-3' methyl)-8 theophylline, (Carboxy-methyl)-7 (pyridyl-3' methyl)-8 theophylline [French], 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-8-(3-pyridylmethyl)-
| Molecular Formula | C15H15N5O4 |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.1124 |
| Heavy Atoms | 24 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 28345-98-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CN=CC=C3)CC(=O)O |
| InChIKey | QCYXBUMUKOUOLA-UHFFFAOYSA-N |
Product Overview
NV 14 (CAS 28345-98-4), with molecular formula C15H15N5O4 and molecular weight 329.11 g/mol. IUPAC: 2-[1,3-dimethyl-2,6-dioxo-8-(pyridin-3-ylmethyl)purin-7-yl]acetic acid.
Chemical Property Profile of NV 14
Property Insights of NV 14
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NV 14. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NV 14. Following Lipinski's Rule of Five, NV 14 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 NV 14?
The CAS number of NV 14 is 28345-98-4.
What is the molecular formula of NV 14?
The molecular formula of NV 14 is C15H15N5O4.
What is the molecular weight of NV 14?
The molecular weight of NV 14 is 329.11 g/mol.
Where can I buy NV 14?
You can request a quote for NV 14 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NV 14?
Yes, KEHONG BIO provides custom synthesis services for NV 14 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.