BAS 00818627
TL;DR: BAS 00818627 (CAS 303013-91-4) is a chemical compound with molecular formula C26H31N3O2S and molecular weight 449.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2,2-dimethyloxan-4-yl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetonitrile
Also Known As: BAS 00818627, AB00094066-01, 2-[3-(2,2-dimethyloxan-4-yl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetonitrile, 2-[(cyanomethyl)sulfanyl]-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-oxo-3,4,5,6-tetrahydrospiro(benzo[h]quinazoline-5,1'-cyclohexane), {[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile
| Molecular Formula | C26H31N3O2S |
|---|---|
| Molecular Weight | 449.21 g/mol |
| LogP | 5.41408 |
| Topological Polar Surface Area | 67.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.21368 |
| Heavy Atoms | 32 |
| Complexity | 1124.8676 |
Chemical Identifiers
| CAS Number | 303013-91-4 |
|---|---|
| SMILES | CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#N)C |
Product Overview
BAS 00818627 (CAS 303013-91-4), with molecular formula C26H31N3O2S and molecular weight 449.21 g/mol. IUPAC: 2-[3-(2,2-dimethyloxan-4-yl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetonitrile.
Chemical Property Profile of BAS 00818627
Property Insights of BAS 00818627
The XLogP value of 5.41408 indicates that BAS 00818627 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00818627. Following Lipinski's Rule of Five, BAS 00818627 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00818627?
The CAS number of BAS 00818627 is 303013-91-4.
What is the molecular formula of BAS 00818627?
The molecular formula of BAS 00818627 is C26H31N3O2S.
What is the molecular weight of BAS 00818627?
The molecular weight of BAS 00818627 is 449.21 g/mol.
Where can I buy BAS 00818627?
You can request a quote for BAS 00818627 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00818627?
Yes, KEHONG BIO provides custom synthesis services for BAS 00818627 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.