![2-benzylisothiourea; [?]carboxylic acid structure](/static/products/7497/7497-32-7.webp)
2-benzylisothiourea; [?]carboxylic acid
TL;DR: 2-benzylisothiourea; [?]carboxylic acid (CAS 7497-32-7) is a chemical compound with molecular formula C19H24N2O2S and molecular weight 344.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl carbamimidothioate;tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylic acid
Also Known As: 2-benzylisothiourea; [?]carboxylic acid, 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene-2-carboxylic acid -benzyl imidothiocarbamate (1:1), 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene-2-carboxylic acid - benzyl imidothiocarbamate (1:1), 2,3,3a,4,7,7a-Hexahydro-1H-4,7-methanoindene-2-carboxylic acid--benzyl carbamimidothioate (1/1), 2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene-2-carboxylic acid-benzyl imidothiocarbamate (1:1)
| Molecular Formula | C19H24N2O2S |
|---|---|
| Molecular Weight | 344.16 g/mol |
| LogP | 3.73257 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.15585 |
| Heavy Atoms | 24 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 7497-32-7 |
|---|---|
| SMILES | C1C(CC2C1C3CC2C=C3)C(=O)O.C1=CC=C(C=C1)CSC(=N)N |
| InChIKey | VNJYOKALFVKOEU-UHFFFAOYSA-N |
Product Overview
2-benzylisothiourea; [?]carboxylic acid (CAS 7497-32-7), with molecular formula C19H24N2O2S and molecular weight 344.16 g/mol. IUPAC: benzyl carbamimidothioate;tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylic acid.
Chemical Property Profile of 2-benzylisothiourea; [?]carboxylic acid
Property Insights of 2-benzylisothiourea; [?]carboxylic acid
The XLogP value of 3.73257 indicates that 2-benzylisothiourea; [?]carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-benzylisothiourea; [?]carboxylic acid. Following Lipinski's Rule of Five, 2-benzylisothiourea; [?]carboxylic acid has 3 hydrogen bond donor(s) and 4 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 2-benzylisothiourea; [?]carboxylic acid?
The CAS number of 2-benzylisothiourea; [?]carboxylic acid is 7497-32-7.
What is the molecular formula of 2-benzylisothiourea; [?]carboxylic acid?
The molecular formula of 2-benzylisothiourea; [?]carboxylic acid is C19H24N2O2S.
What is the molecular weight of 2-benzylisothiourea; [?]carboxylic acid?
The molecular weight of 2-benzylisothiourea; [?]carboxylic acid is 344.16 g/mol.
Where can I buy 2-benzylisothiourea; [?]carboxylic acid?
You can request a quote for 2-benzylisothiourea; [?]carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-benzylisothiourea; [?]carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-benzylisothiourea; [?]carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.