BAS 00608769
TL;DR: BAS 00608769 (CAS 328070-27-5) is a chemical compound with molecular formula C25H24N4S and molecular weight 412.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-benzylspiro[12,13,15,17-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,11,16-hexaene-9,1'-cyclohexane]-14-thione
Also Known As: BAS 00608769, AE-848/31946029, 11-benzyl-4,5-dihydrospiro(benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane)-1-thiol, 11-benzyl-5H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thiol, 16-benzylspiro[12,13,15,17-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,11,16-hexaene-9,1'-cyclohexane]-14-thione
| Molecular Formula | C25H24N4S |
|---|---|
| Molecular Weight | 412.17 g/mol |
| LogP | 5.80269 |
| Topological Polar Surface Area | 45.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.17218 |
| Heavy Atoms | 30 |
| Complexity | 1295.9805 |
Chemical Identifiers
| CAS Number | 328070-27-5 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C5=NNC(=S)N5C(=N4)CC6=CC=CC=C6 |
Product Overview
BAS 00608769 (CAS 328070-27-5), with molecular formula C25H24N4S and molecular weight 412.17 g/mol. IUPAC: 16-benzylspiro[12,13,15,17-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,11,16-hexaene-9,1'-cyclohexane]-14-thione.
Chemical Property Profile of BAS 00608769
Property Insights of BAS 00608769
The XLogP value of 5.80269 indicates that BAS 00608769 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.98 Ų, BAS 00608769 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00608769 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00608769?
The CAS number of BAS 00608769 is 328070-27-5.
What is the molecular formula of BAS 00608769?
The molecular formula of BAS 00608769 is C25H24N4S.
What is the molecular weight of BAS 00608769?
The molecular weight of BAS 00608769 is 412.17 g/mol.
Where can I buy BAS 00608769?
You can request a quote for BAS 00608769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00608769?
Yes, KEHONG BIO provides custom synthesis services for BAS 00608769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.