BAS 05427704
TL;DR: BAS 05427704 (CAS 362596-40-5) is a chemical compound with molecular formula C10H8N4O and molecular weight 200.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-10-carbonitrile
Also Known As: BAS 05427704, 8-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 2-oxo-1,8,12-triazatricyclo[7.3.0.0,3,7]dodeca-3(7),9,11-triene-10-carbonitrile, 8-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 2-oxo-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-10-carbonitrile
| Molecular Formula | C10H8N4O |
|---|---|
| Molecular Weight | 200.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.06981 |
| Heavy Atoms | 15 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 362596-40-5 |
|---|---|
| SMILES | C1CC2=C(C1)N=C3C(=CNN3C2=O)C#N |
| InChIKey | FBZSFHDZYAUOSJ-UHFFFAOYSA-N |
Product Overview
BAS 05427704 (CAS 362596-40-5), with molecular formula C10H8N4O and molecular weight 200.07 g/mol. IUPAC: 2-oxo-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-10-carbonitrile.
Chemical Property Profile of BAS 05427704
Property Insights of BAS 05427704
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05427704. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05427704. Following Lipinski's Rule of Five, BAS 05427704 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 05427704?
The CAS number of BAS 05427704 is 362596-40-5.
What is the molecular formula of BAS 05427704?
The molecular formula of BAS 05427704 is C10H8N4O.
What is the molecular weight of BAS 05427704?
The molecular weight of BAS 05427704 is 200.07 g/mol.
Where can I buy BAS 05427704?
You can request a quote for BAS 05427704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05427704?
Yes, KEHONG BIO provides custom synthesis services for BAS 05427704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.