BAS 01312922
TL;DR: BAS 01312922 (CAS 337488-13-8) is a chemical compound with molecular formula C25H24N4OS and molecular weight 428.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-benzyl-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one
Also Known As: BAS 01312922, 4-benzyl-1-mercapto-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one, 4-benzyl-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one, 4-benzyl-1-sulfanylspiro[4,6,7,12-tetrahydrobenzo[h]1,2,4-triazolo[4,3-a]quina zoline-6,1'-cyclohexane]-5-one, 4-benzyl-1-thioxo-2,4-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
| Molecular Formula | C25H24N4OS |
|---|---|
| Molecular Weight | 428.17 g/mol |
| LogP | 5.02689 |
| Topological Polar Surface Area | 55.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 428.16708 |
| Heavy Atoms | 31 |
| Complexity | 1407.229 |
Chemical Identifiers
| CAS Number | 337488-13-8 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NNC(=S)N45)CC6=CC=CC=C6 |
Product Overview
BAS 01312922 (CAS 337488-13-8), with molecular formula C25H24N4OS and molecular weight 428.17 g/mol. IUPAC: 12-benzyl-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one.
Chemical Property Profile of BAS 01312922
Property Insights of BAS 01312922
The XLogP value of 5.02689 indicates that BAS 01312922 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.09 Ų, BAS 01312922 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01312922 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 01312922?
The CAS number of BAS 01312922 is 337488-13-8.
What is the molecular formula of BAS 01312922?
The molecular formula of BAS 01312922 is C25H24N4OS.
What is the molecular weight of BAS 01312922?
The molecular weight of BAS 01312922 is 428.17 g/mol.
Where can I buy BAS 01312922?
You can request a quote for BAS 01312922 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01312922?
Yes, KEHONG BIO provides custom synthesis services for BAS 01312922 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.