BAS 01322155
TL;DR: BAS 01322155 (CAS 337495-50-8) is a chemical compound with molecular formula C27H27N3O2S and molecular weight 457.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-methoxyphenyl)methyl]-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetonitrile
Also Known As: BAS 01322155, {[3-(4-methoxybenzyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile, 2-((3-(4-methoxybenzyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetonitrile, 2-[3-[(4-methoxyphenyl)methyl]-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetonitrile, 2-{3-[(4-methoxyphenyl)methyl]-4-oxospiro[3,5,6-trihydrobenzo[h]quinazoline-5, 1'-cyclohexane]-2-ylthio}ethanenitrile
| Molecular Formula | C27H27N3O2S |
|---|---|
| Molecular Weight | 457.18 g/mol |
| LogP | 5.34088 |
| Topological Polar Surface Area | 67.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.1824 |
| Heavy Atoms | 33 |
| Complexity | 1268.0045 |
Chemical Identifiers
| CAS Number | 337495-50-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#N |
Product Overview
BAS 01322155 (CAS 337495-50-8), with molecular formula C27H27N3O2S and molecular weight 457.18 g/mol. IUPAC: 2-[3-[(4-methoxyphenyl)methyl]-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetonitrile.
Chemical Property Profile of BAS 01322155
Property Insights of BAS 01322155
The XLogP value of 5.34088 indicates that BAS 01322155 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 01322155. Following Lipinski's Rule of Five, BAS 01322155 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 01322155?
The CAS number of BAS 01322155 is 337495-50-8.
What is the molecular formula of BAS 01322155?
The molecular formula of BAS 01322155 is C27H27N3O2S.
What is the molecular weight of BAS 01322155?
The molecular weight of BAS 01322155 is 457.18 g/mol.
Where can I buy BAS 01322155?
You can request a quote for BAS 01322155 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01322155?
Yes, KEHONG BIO provides custom synthesis services for BAS 01322155 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.