BAS 00818386
TL;DR: BAS 00818386 (CAS 330180-29-5) is a chemical compound with molecular formula C26H34N2OS and molecular weight 422.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyclohexylmethyl)-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: BAS 00818386, 3-(cyclohexylmethyl)-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 3-(cyclohexylmethyl)-2-(ethylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-(CYCLOHEXYLMETHYL)-2-(ETHYLSULFANYL)-4,6-DIHYDRO-3H-SPIRO[BENZO[H]QUINAZOLINE-5,1'-CYCLOHEXAN]-4-ONE, 3-(cyclohexylmethyl)-2-(ethylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
| Molecular Formula | C26H34N2OS |
|---|---|
| Molecular Weight | 422.24 g/mol |
| LogP | 6.3606 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.2392 |
| Heavy Atoms | 30 |
| Complexity | 967.48425 |
Chemical Identifiers
| CAS Number | 330180-29-5 |
|---|---|
| SMILES | CCSC1=NC2=C(C(=O)N1CC3CCCCC3)C4(CCCCC4)CC5=CC=CC=C52 |
Product Overview
BAS 00818386 (CAS 330180-29-5), with molecular formula C26H34N2OS and molecular weight 422.24 g/mol. IUPAC: 3-(cyclohexylmethyl)-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of BAS 00818386
Property Insights of BAS 00818386
The XLogP value of 6.3606 indicates that BAS 00818386 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, BAS 00818386 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00818386 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 BAS 00818386?
The CAS number of BAS 00818386 is 330180-29-5.
What is the molecular formula of BAS 00818386?
The molecular formula of BAS 00818386 is C26H34N2OS.
What is the molecular weight of BAS 00818386?
The molecular weight of BAS 00818386 is 422.24 g/mol.
Where can I buy BAS 00818386?
You can request a quote for BAS 00818386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00818386?
Yes, KEHONG BIO provides custom synthesis services for BAS 00818386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.