BAS 00866693
TL;DR: BAS 00866693 (CAS 327098-99-7) is a chemical compound with molecular formula C21H17ClN4O and molecular weight 376.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1-(3-chlorophenyl)-3-methyl-4-(2-methylphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: BAS 00866693, 6-amino-1-(3-chlorophenyl)-3-methyl-4-(2-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-1-(3-chlorophenyl)-3-methyl-4-(2-methylphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-1-(3-chlorophenyl)-3-methyl-4-(2-methylphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-1-(3-chlorophenyl)-3-methyl-4-(2-methylphenyl)-4H-pyrano[3,2-d]pyrazol e-5-carbonitrile
| Molecular Formula | C21H17ClN4O |
|---|---|
| Molecular Weight | 376.11 g/mol |
| LogP | 4.36072 |
| Topological Polar Surface Area | 76.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.1091 |
| Heavy Atoms | 27 |
| Complexity | 1123.4506 |
Chemical Identifiers
| CAS Number | 327098-99-7 |
|---|---|
| SMILES | CC1=CC=CC=C1C2C(=C(OC3=C2C(=NN3C4=CC(=CC=C4)Cl)C)N)C#N |
Product Overview
BAS 00866693 (CAS 327098-99-7), with molecular formula C21H17ClN4O and molecular weight 376.11 g/mol. IUPAC: 6-amino-1-(3-chlorophenyl)-3-methyl-4-(2-methylphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 00866693
Property Insights of BAS 00866693
The XLogP value of 4.36072 indicates that BAS 00866693 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00866693. Following Lipinski's Rule of Five, BAS 00866693 has 1 hydrogen bond donor(s) and 4 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 00866693?
The CAS number of BAS 00866693 is 327098-99-7.
What is the molecular formula of BAS 00866693?
The molecular formula of BAS 00866693 is C21H17ClN4O.
What is the molecular weight of BAS 00866693?
The molecular weight of BAS 00866693 is 376.11 g/mol.
Where can I buy BAS 00866693?
You can request a quote for BAS 00866693 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00866693?
Yes, KEHONG BIO provides custom synthesis services for BAS 00866693 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.