BAS 00690953
TL;DR: BAS 00690953 (CAS 304012-25-7) is a chemical compound with molecular formula C19H20N4O and molecular weight 320.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one
Also Known As: BAS 00690953, AE-848/11105199, 4-methyl-6,7-dihydrospiro(benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexane)-5(4H)-one, 4-methyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one, 12-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one
| Molecular Formula | C19H20N4O |
|---|---|
| Molecular Weight | 320.16 g/mol |
| LogP | 2.853 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 320.1637 |
| Heavy Atoms | 24 |
| Complexity | 1007.86896 |
Chemical Identifiers
| CAS Number | 304012-25-7 |
|---|---|
| SMILES | CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N5C1=NN=C5 |
Product Overview
BAS 00690953 (CAS 304012-25-7), with molecular formula C19H20N4O and molecular weight 320.16 g/mol. IUPAC: 12-methylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one.
Chemical Property Profile of BAS 00690953
Property Insights of BAS 00690953
The XLogP value of 2.853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00690953. With a topological polar surface area (TPSA) of 52.19 Ų, BAS 00690953 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00690953 has 0 hydrogen bond donor(s) and 3 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 00690953?
The CAS number of BAS 00690953 is 304012-25-7.
What is the molecular formula of BAS 00690953?
The molecular formula of BAS 00690953 is C19H20N4O.
What is the molecular weight of BAS 00690953?
The molecular weight of BAS 00690953 is 320.16 g/mol.
Where can I buy BAS 00690953?
You can request a quote for BAS 00690953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690953?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.