Carbamimidothioic acid, 2-(benzoylamino)-3-phenylpropyl ester, monohydrochloride
TL;DR: Carbamimidothioic acid, 2-(benzoylamino)-3-phenylpropyl ester, monohydrochloride (CAS 65326-27-4) is a chemical compound with molecular formula C17H20ClN3OS and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzamido-3-phenylpropyl) carbamimidothioate;hydrochloride
Also Known As: Carbamimidothioic acid, 2-(benzoylamino)-3-phenylpropyl ester, monohydrochloride, (2-benzamido-3-phenylpropyl) carbamimidothioate hydrochloride, N-[1-(Carbamimidoylsulfanyl)-3-phenylpropan-2-yl]benzenecarboximidic acid--hydrogen chloride (1/1), RefChem:332772
| Molecular Formula | C17H20ClN3OS |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 3.07617 |
| Topological Polar Surface Area | 78.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.10156 |
| Heavy Atoms | 23 |
| Complexity | 622.2503 |
Chemical Identifiers
| CAS Number | 65326-27-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CSC(=N)N)NC(=O)C2=CC=CC=C2.Cl |
Product Overview
Carbamimidothioic acid, 2-(benzoylamino)-3-phenylpropyl ester, monohydrochloride (CAS 65326-27-4), with molecular formula C17H20ClN3OS and molecular weight 349.10 g/mol. IUPAC: (2-benzamido-3-phenylpropyl) carbamimidothioate;hydrochloride.
Chemical Property Profile of Carbamimidothioic acid, 2-(benzoylamino)-3-phenylpropyl ester, monohydrochloride
Property Insights of Carbamimidothioic acid, 2-(benzoylamino)-3-phenylpropyl ester, monohydrochloride
The XLogP value of 3.07617 indicates that Carbamimidothioic acid, 2-(benzoylamino)-3-phenylpropyl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamimidothioic acid, 2-(benzoylamino)-3-phenylpropyl ester, monohydrochloride. Following Lipinski's Rule of Five, Carbamimidothioic acid, 2-(benzoylamino)-3-phenylpropyl ester, monohydrochloride 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 Carbamimidothioic acid, 2-(benzoylamino)-3-phenylpropyl ester, monohydrochloride?
The CAS number of Carbamimidothioic acid, 2-(benzoylamino)-3-phenylpropyl ester, monohydrochloride is 65326-27-4.
What is the molecular formula of Carbamimidothioic acid, 2-(benzoylamino)-3-phenylpropyl ester, monohydrochloride?
The molecular formula of Carbamimidothioic acid, 2-(benzoylamino)-3-phenylpropyl ester, monohydrochloride is C17H20ClN3OS.
What is the molecular weight of Carbamimidothioic acid, 2-(benzoylamino)-3-phenylpropyl ester, monohydrochloride?
The molecular weight of Carbamimidothioic acid, 2-(benzoylamino)-3-phenylpropyl ester, monohydrochloride is 349.10 g/mol.
Where can I buy Carbamimidothioic acid, 2-(benzoylamino)-3-phenylpropyl ester, monohydrochloride?
You can request a quote for Carbamimidothioic acid, 2-(benzoylamino)-3-phenylpropyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidothioic acid, 2-(benzoylamino)-3-phenylpropyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, 2-(benzoylamino)-3-phenylpropyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.