CCG 102487
TL;DR: CCG 102487 (CAS 353787-50-5) is a chemical compound with molecular formula C27H28N2OS and molecular weight 428.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: CCG 102487, 3-allyl-2-(benzylsulfanyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one, J3.053.666E, 2-benzylsulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 3-allyl-2-(benzylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
| Molecular Formula | C27H28N2OS |
|---|---|
| Molecular Weight | 428.19 g/mol |
| LogP | 6.1466 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.19223 |
| Heavy Atoms | 31 |
| Complexity | 1159.5991 |
Chemical Identifiers
| CAS Number | 353787-50-5 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=CC=C5 |
Product Overview
CCG 102487 (CAS 353787-50-5), with molecular formula C27H28N2OS and molecular weight 428.19 g/mol. IUPAC: 2-benzylsulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of CCG 102487
Property Insights of CCG 102487
The XLogP value of 6.1466 indicates that CCG 102487 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, CCG 102487 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CCG 102487 has 0 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 CCG 102487?
The CAS number of CCG 102487 is 353787-50-5.
What is the molecular formula of CCG 102487?
The molecular formula of CCG 102487 is C27H28N2OS.
What is the molecular weight of CCG 102487?
The molecular weight of CCG 102487 is 428.19 g/mol.
Where can I buy CCG 102487?
You can request a quote for CCG 102487 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CCG 102487?
Yes, KEHONG BIO provides custom synthesis services for CCG 102487 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.