BAS 02504629
TL;DR: BAS 02504629 (CAS 401589-97-7) is a chemical compound with molecular formula C16H16N4O2 and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-ethyl-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: BAS 02504629, 6-amino-3-ethyl-4-(2-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, AI-031/15032367, 6-amino-3-ethyl-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-ethyl-4-(2-methoxyphenyl)-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C16H16N4O2 |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 2.19888 |
| Topological Polar Surface Area | 96.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.12732 |
| Heavy Atoms | 22 |
| Complexity | 785.6838 |
Chemical Identifiers
| CAS Number | 401589-97-7 |
|---|---|
| SMILES | CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3OC |
Product Overview
BAS 02504629 (CAS 401589-97-7), with molecular formula C16H16N4O2 and molecular weight 296.13 g/mol. IUPAC: 6-amino-3-ethyl-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 02504629
Property Insights of BAS 02504629
The XLogP value of 2.19888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02504629. The TPSA of 96.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02504629. Following Lipinski's Rule of Five, BAS 02504629 has 2 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 02504629?
The CAS number of BAS 02504629 is 401589-97-7.
What is the molecular formula of BAS 02504629?
The molecular formula of BAS 02504629 is C16H16N4O2.
What is the molecular weight of BAS 02504629?
The molecular weight of BAS 02504629 is 296.13 g/mol.
Where can I buy BAS 02504629?
You can request a quote for BAS 02504629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02504629?
Yes, KEHONG BIO provides custom synthesis services for BAS 02504629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.