BAS 04996132
TL;DR: BAS 04996132 (CAS 618071-93-5) is a chemical compound with molecular formula C17H17N5O2 and molecular weight 323.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-ethoxypropyl)-6-imino-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 04996132, 1-(3-ethoxypropyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 1-(3-ETHOXYPROPYL)-2-IMINO-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-3-YL CYANIDE, 1-(3-ethoxypropyl)-2-imino-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
| Molecular Formula | C17H17N5O2 |
|---|---|
| Molecular Weight | 323.14 g/mol |
| LogP | 1.42695 |
| Topological Polar Surface Area | 96.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.1382 |
| Heavy Atoms | 24 |
| Complexity | 1058.6731 |
Chemical Identifiers
| CAS Number | 618071-93-5 |
|---|---|
| SMILES | CCOCCCN1C2=C(C=C(C1=N)C#N)C(=O)N3C=CC=CC3=N2 |
Product Overview
BAS 04996132 (CAS 618071-93-5), with molecular formula C17H17N5O2 and molecular weight 323.14 g/mol. IUPAC: 7-(3-ethoxypropyl)-6-imino-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 04996132
Property Insights of BAS 04996132
The XLogP value of 1.42695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996132. The TPSA of 96.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996132. Following Lipinski's Rule of Five, BAS 04996132 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 04996132?
The CAS number of BAS 04996132 is 618071-93-5.
What is the molecular formula of BAS 04996132?
The molecular formula of BAS 04996132 is C17H17N5O2.
What is the molecular weight of BAS 04996132?
The molecular weight of BAS 04996132 is 323.14 g/mol.
Where can I buy BAS 04996132?
You can request a quote for BAS 04996132 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996132?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996132 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.