![({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid structure](/static/products/6945/694516-61-5.webp)
({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid
TL;DR: ({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid (CAS 694516-61-5) is a chemical compound with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]acetic acid
Also Known As: ChemDiv3_013075, ({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid, 8271AE, 2-(3-Benzyl-3-(pyridin-3-ylmethyl)thioureido)acetic acid, 2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]acetic acid
| Molecular Formula | C16H17N3O2S |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.10416 |
| Heavy Atoms | 22 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 694516-61-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NCC(=O)O |
| InChIKey | WMDILDCVCVZUMV-UHFFFAOYSA-N |
Product Overview
({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid (CAS 694516-61-5), with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol. IUPAC: 2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]acetic acid.
Chemical Property Profile of ({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid
Property Insights of ({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid. Following Lipinski's Rule of Five, ({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid has 2 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 ({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid?
The CAS number of ({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid is 694516-61-5.
What is the molecular formula of ({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid?
The molecular formula of ({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid is C16H17N3O2S.
What is the molecular weight of ({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid?
The molecular weight of ({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid is 315.10 g/mol.
Where can I buy ({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid?
You can request a quote for ({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ({[Benzyl(pyridin-3-ylmethyl)amino]-carbonothioyl}amino)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.