1,8-Diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile
TL;DR: 1,8-Diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile (CAS 329226-72-4) is a chemical compound with molecular formula C13H15N5O2 and molecular weight 273.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile
Also Known As: 1,8-diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile, AE-641/15338300, 1,8-diamino-3,6-diethoxy[2,7]naphthyridine-4-carbonitrile
| Molecular Formula | C13H15N5O2 |
|---|---|
| Molecular Weight | 273.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.1226 |
| Heavy Atoms | 20 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 329226-72-4 |
|---|---|
| SMILES | CCOC1=NC(=C2C(=C1)C(=C(N=C2N)OCC)C#N)N |
| InChIKey | KKBWUHOMTKEDRI-UHFFFAOYSA-N |
Product Overview
1,8-Diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile (CAS 329226-72-4), with molecular formula C13H15N5O2 and molecular weight 273.12 g/mol. IUPAC: 1,8-diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile.
Chemical Property Profile of 1,8-Diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile
Property Insights of 1,8-Diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,8-Diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile. Following Lipinski's Rule of Five, 1,8-Diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile has 2 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 1,8-Diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile?
The CAS number of 1,8-Diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile is 329226-72-4.
What is the molecular formula of 1,8-Diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile?
The molecular formula of 1,8-Diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile is C13H15N5O2.
What is the molecular weight of 1,8-Diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile?
The molecular weight of 1,8-Diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile is 273.12 g/mol.
Where can I buy 1,8-Diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile?
You can request a quote for 1,8-Diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Diamino-3,6-diethoxy-2,7-naphthyridine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.