BAS 04996133
TL;DR: BAS 04996133 (CAS 797814-75-6) is a chemical compound with molecular formula C18H19N5O2 and molecular weight 337.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-ethoxypropyl)-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Also Known As: BAS 04996133, 1-(3-ethoxypropyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 1-(3-ETHOXYPROPYL)-2-IMINO-10-METHYL-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-3-YL CYANIDE, 1-(3-ethoxypropyl)-2-imino-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
| Molecular Formula | C18H19N5O2 |
|---|---|
| Molecular Weight | 337.15 g/mol |
| LogP | 1.73537 |
| Topological Polar Surface Area | 96.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.15387 |
| Heavy Atoms | 25 |
| Complexity | 1104.816 |
Chemical Identifiers
| CAS Number | 797814-75-6 |
|---|---|
| SMILES | CCOCCCN1C2=C(C=C(C1=N)C#N)C(=O)N3C=CC=C(C3=N2)C |
Product Overview
BAS 04996133 (CAS 797814-75-6), with molecular formula C18H19N5O2 and molecular weight 337.15 g/mol. IUPAC: 7-(3-ethoxypropyl)-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile.
Chemical Property Profile of BAS 04996133
Property Insights of BAS 04996133
The XLogP value of 1.73537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996133. The TPSA of 96.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996133. Following Lipinski's Rule of Five, BAS 04996133 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 BAS 04996133?
The CAS number of BAS 04996133 is 797814-75-6.
What is the molecular formula of BAS 04996133?
The molecular formula of BAS 04996133 is C18H19N5O2.
What is the molecular weight of BAS 04996133?
The molecular weight of BAS 04996133 is 337.15 g/mol.
Where can I buy BAS 04996133?
You can request a quote for BAS 04996133 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996133?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996133 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.