![1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea structure](/static/products/327/327168-10-5.png)
1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea
TL;DR: 1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea (CAS 327168-10-5) is a chemical compound with molecular formula C22H21N3S and molecular weight 359.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)-3-phenylthiourea
Also Known As: 1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea, 1-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)-3-phenylthiourea
| Molecular Formula | C22H21N3S |
|---|---|
| Molecular Weight | 359.15 g/mol |
| LogP | 5.02438 |
| Topological Polar Surface Area | 47.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.14563 |
| Heavy Atoms | 26 |
| Complexity | 902.4846 |
Chemical Identifiers
| CAS Number | 327168-10-5 |
|---|---|
| SMILES | C1CCC2(C1)CC3=CC=CC=C3C(=C2C#N)NC(=S)NC4=CC=CC=C4 |
Product Overview
1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea (CAS 327168-10-5), with molecular formula C22H21N3S and molecular weight 359.15 g/mol. IUPAC: 1-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)-3-phenylthiourea.
Chemical Property Profile of 1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea
Property Insights of 1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea
The XLogP value of 5.02438 indicates that 1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.85 Ų, 1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea?
The CAS number of 1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea is 327168-10-5.
What is the molecular formula of 1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea?
The molecular formula of 1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea is C22H21N3S.
What is the molecular weight of 1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea?
The molecular weight of 1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea is 359.15 g/mol.
Where can I buy 1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea?
You can request a quote for 1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.