BAS 00690964
TL;DR: BAS 00690964 (CAS 331962-03-9) is a chemical compound with molecular formula C22H19N5O and molecular weight 369.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-phenylspiro[12,14,15,16,17-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclopentane]-11-one
Also Known As: BAS 00690964, BRD-K93748226-001-08-8, 4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclopentan]-5(7H)-one, 4-phenylspiro[4,6,7,12-tetrahydrobenzo[h]1,2,3,4-tetraazolo[1,5-a]quinazoline- 6,1'-cyclopentane]-5-one
| Molecular Formula | C22H19N5O |
|---|---|
| Molecular Weight | 369.16 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 369.15897 |
| Heavy Atoms | 28 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 331962-03-9 |
|---|---|
| SMILES | C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NN=NN45)C6=CC=CC=C6 |
| InChIKey | ODGHUMJEJVSIGW-UHFFFAOYSA-N |
Product Overview
BAS 00690964 (CAS 331962-03-9), with molecular formula C22H19N5O and molecular weight 369.16 g/mol. IUPAC: 12-phenylspiro[12,14,15,16,17-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclopentane]-11-one.
Chemical Property Profile of BAS 00690964
Property Insights of BAS 00690964
The XLogP value of 4.5 indicates that BAS 00690964 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00690964. Following Lipinski's Rule of Five, BAS 00690964 has 0 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 00690964?
The CAS number of BAS 00690964 is 331962-03-9.
What is the molecular formula of BAS 00690964?
The molecular formula of BAS 00690964 is C22H19N5O.
What is the molecular weight of BAS 00690964?
The molecular weight of BAS 00690964 is 369.16 g/mol.
Where can I buy BAS 00690964?
You can request a quote for BAS 00690964 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690964?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690964 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.