N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea
TL;DR: N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea (CAS 96938-52-2) is a chemical compound with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(6-methoxy-3-pyridinyl)carbamothioyl]benzamide
Also Known As: 1-benzoyl-3-(6-methoxypyridin-3-yl)thiourea, N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea, N-[(6-methoxypyridin-3-yl)carbamothioyl]benzamide, N-[(6-methoxy-3-pyridyl)carbamothioyl]benzamide, AO-990/15068024
| Molecular Formula | C14H13N3O2S |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 2.217 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.07285 |
| Heavy Atoms | 20 |
| Complexity | 599.5759 |
Chemical Identifiers
| CAS Number | 96938-52-2 |
|---|---|
| SMILES | COC1=NC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2 |
Product Overview
N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea (CAS 96938-52-2), with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol. IUPAC: N-[(6-methoxy-3-pyridinyl)carbamothioyl]benzamide.
Chemical Property Profile of N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea
Property Insights of N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea
The XLogP value of 2.217 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea. Following Lipinski's Rule of Five, N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea 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 N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea?
The CAS number of N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea is 96938-52-2.
What is the molecular formula of N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea?
The molecular formula of N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea is C14H13N3O2S.
What is the molecular weight of N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea?
The molecular weight of N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea is 287.07 g/mol.
Where can I buy N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea?
You can request a quote for N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-benzoyl-N'-(6-methoxy-3-pyridinyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.