BAS 00641227
TL;DR: BAS 00641227 (CAS 313702-96-4) is a chemical compound with molecular formula C21H16N4O3 and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: BAS 00641227, J2.127.370H, 6-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 1-Phenyl-3-methyl-4-(1,3-benzodioxole-5-yl)-6-amino-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C21H16N4O3 |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 3.1276 |
| Topological Polar Surface Area | 95.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.12225 |
| Heavy Atoms | 28 |
| Complexity | 1158.384 |
Chemical Identifiers
| CAS Number | 313702-96-4 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5 |
Product Overview
BAS 00641227 (CAS 313702-96-4), with molecular formula C21H16N4O3 and molecular weight 372.12 g/mol. IUPAC: 6-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 00641227
Property Insights of BAS 00641227
The XLogP value of 3.1276 indicates that BAS 00641227 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00641227. Following Lipinski's Rule of Five, BAS 00641227 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 BAS 00641227?
The CAS number of BAS 00641227 is 313702-96-4.
What is the molecular formula of BAS 00641227?
The molecular formula of BAS 00641227 is C21H16N4O3.
What is the molecular weight of BAS 00641227?
The molecular weight of BAS 00641227 is 372.12 g/mol.
Where can I buy BAS 00641227?
You can request a quote for BAS 00641227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00641227?
Yes, KEHONG BIO provides custom synthesis services for BAS 00641227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.