![1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline] structure](/static/products/4049/404912-93-2.webp)
1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline]
TL;DR: 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline] (CAS 404912-93-2) is a chemical compound with molecular formula C14H16ClN and molecular weight 233.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)spiro[4H-isoquinoline-3,1'-cyclopentane]
Also Known As: ZERO/005076, 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline], 1-(chloromethyl)spiro[4H-isoquinoline-3,1'-cyclopentane], 1'-(chloromethyl)-4'{H}-spiro[cyclopentane-1,3'-isoquinoline], Isoquinoline, 1-(chloromethyl)-3,4-dihydro-3-spirocyclopentyl-
| Molecular Formula | C14H16ClN |
|---|---|
| Molecular Weight | 233.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.09712 |
| Heavy Atoms | 16 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 404912-93-2 |
|---|---|
| SMILES | C1CCC2(C1)CC3=CC=CC=C3C(=N2)CCl |
| InChIKey | UCHUHOBELGVALR-UHFFFAOYSA-N |
Product Overview
1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline] (CAS 404912-93-2), with molecular formula C14H16ClN and molecular weight 233.10 g/mol. IUPAC: 1-(chloromethyl)spiro[4H-isoquinoline-3,1'-cyclopentane].
Chemical Property Profile of 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline]
Property Insights of 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline]
The XLogP value of 3.3 indicates that 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.4 Ų, 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline] has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline]?
The CAS number of 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline] is 404912-93-2.
What is the molecular formula of 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline]?
The molecular formula of 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline] is C14H16ClN.
What is the molecular weight of 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline]?
The molecular weight of 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline] is 233.10 g/mol.
Where can I buy 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline]?
You can request a quote for 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline]?
Yes, KEHONG BIO provides custom synthesis services for 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.