![2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane] structure](/static/products/844/844652-49-9.png)
2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane]
TL;DR: 2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane] (CAS 844652-49-9) is a chemical compound with molecular formula C27H29N3S and molecular weight 427.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4-pyrrolidin-1-ylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]
Also Known As: 2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane], 2-(benzylthio)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane], 2-benzylsulfanyl-4-pyrrolidin-1-ylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]
| Molecular Formula | C27H29N3S |
|---|---|
| Molecular Weight | 427.21 g/mol |
| LogP | 6.404 |
| Topological Polar Surface Area | 29.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.20822 |
| Heavy Atoms | 31 |
| Complexity | 1082.8906 |
Chemical Identifiers
| CAS Number | 844652-49-9 |
|---|---|
| SMILES | C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=NC(=N4)SCC5=CC=CC=C5)N6CCCC6 |
Product Overview
2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane] (CAS 844652-49-9), with molecular formula C27H29N3S and molecular weight 427.21 g/mol. IUPAC: 2-benzylsulfanyl-4-pyrrolidin-1-ylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane].
Chemical Property Profile of 2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane]
Property Insights of 2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane]
The XLogP value of 6.404 indicates that 2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.02 Ų, 2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane] has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane]?
The CAS number of 2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane] is 844652-49-9.
What is the molecular formula of 2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane]?
The molecular formula of 2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane] is C27H29N3S.
What is the molecular weight of 2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane]?
The molecular weight of 2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane] is 427.21 g/mol.
Where can I buy 2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane]?
You can request a quote for 2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane]?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-4-(pyrrolidin-1-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentane] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.