Benzyl 4-guanidinothiobenzoate
TL;DR: Benzyl 4-guanidinothiobenzoate (CAS 88142-50-1) is a chemical compound with molecular formula C15H16ClN3OS and molecular weight 321.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-benzyl 4-(diaminomethylideneamino)benzenecarbothioate;hydrochloride
Also Known As: Gbz-sbzl, Benzyl 4-guanidinothiobenzoate, Benzyl 4-guanidinothiobenzoate hydrochloride, S-benzyl 4-(diaminomethylideneamino)benzenecarbothioate;hydrochloride, S-benzyl 4-(diaminomethylideneamino)benzenecarbothioate hydrochloride
| Molecular Formula | C15H16ClN3OS |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 3.0869 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.07025 |
| Heavy Atoms | 21 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 88142-50-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=O)C2=CC=C(C=C2)N=C(N)N.Cl |
| InChIKey | FUUPGEBOTBQGHA-UHFFFAOYSA-N |
Product Overview
Benzyl 4-guanidinothiobenzoate (CAS 88142-50-1), with molecular formula C15H16ClN3OS and molecular weight 321.07 g/mol. IUPAC: S-benzyl 4-(diaminomethylideneamino)benzenecarbothioate;hydrochloride.
Chemical Property Profile of Benzyl 4-guanidinothiobenzoate
Property Insights of Benzyl 4-guanidinothiobenzoate
The XLogP value of 3.0869 indicates that Benzyl 4-guanidinothiobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 4-guanidinothiobenzoate. Following Lipinski's Rule of Five, Benzyl 4-guanidinothiobenzoate has 3 hydrogen bond donor(s) and 3 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 Benzyl 4-guanidinothiobenzoate?
The CAS number of Benzyl 4-guanidinothiobenzoate is 88142-50-1.
What is the molecular formula of Benzyl 4-guanidinothiobenzoate?
The molecular formula of Benzyl 4-guanidinothiobenzoate is C15H16ClN3OS.
What is the molecular weight of Benzyl 4-guanidinothiobenzoate?
The molecular weight of Benzyl 4-guanidinothiobenzoate is 321.07 g/mol.
Where can I buy Benzyl 4-guanidinothiobenzoate?
You can request a quote for Benzyl 4-guanidinothiobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 4-guanidinothiobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 4-guanidinothiobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.