BAS 00312800
TL;DR: BAS 00312800 (CAS 305331-91-3) is a chemical compound with molecular formula C26H22N6O and molecular weight 434.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Also Known As: BAS 00312800, 11-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile, AF-399/36011059, 11-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile, 16-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
| Molecular Formula | C26H22N6O |
|---|---|
| Molecular Weight | 434.19 g/mol |
| LogP | 4.3893 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.18552 |
| Heavy Atoms | 33 |
| Complexity | 1663.3075 |
Chemical Identifiers
| CAS Number | 305331-91-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C4CCCC4=C(C5=NC6=CC=CC=C6N35)C#N |
Product Overview
BAS 00312800 (CAS 305331-91-3), with molecular formula C26H22N6O and molecular weight 434.19 g/mol. IUPAC: 16-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile.
Chemical Property Profile of BAS 00312800
Property Insights of BAS 00312800
The XLogP value of 4.3893 indicates that BAS 00312800 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00312800. Following Lipinski's Rule of Five, BAS 00312800 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 00312800?
The CAS number of BAS 00312800 is 305331-91-3.
What is the molecular formula of BAS 00312800?
The molecular formula of BAS 00312800 is C26H22N6O.
What is the molecular weight of BAS 00312800?
The molecular weight of BAS 00312800 is 434.19 g/mol.
Where can I buy BAS 00312800?
You can request a quote for BAS 00312800 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00312800?
Yes, KEHONG BIO provides custom synthesis services for BAS 00312800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.