N-(3,4-二甲基苯基)-2-氨甲酰硫基乙酰胺
TL;DR: N-(3,4-二甲基苯基)-2-氨甲酰硫基乙酰胺 (CAS 102129-07-7) is a chemical compound with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-二甲基苯基)-2-氨甲酰硫基乙酰胺
S-[2-(3,4-dimethylanilino)-2-oxoethyl] carbamothioate
Also Known As: BIM-0045945.P001, N-(3,4-dimethylphenyl)-2-carbamoylthioacetamide, s-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl} carbamothioate, S-[2-(3,4-dimethylanilino)-2-oxoethyl] carbamothioate, S-[2-(3,4-dimethylanilino)-2-oxoethyl] thiocarbamate
| Molecular Formula | C11H14N2O2S |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 97.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.0776 |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 102129-07-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC(=O)N)C |
| InChIKey | ANOGWOBXOCFAEU-UHFFFAOYSA-N |
Product Overview
N-(3,4-二甲基苯基)-2-氨甲酰硫基乙酰胺 (CAS 102129-07-7), with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol. IUPAC: S-[2-(3,4-dimethylanilino)-2-oxoethyl] carbamothioate.
Chemical Property Profile of N-(3,4-二甲基苯基)-2-氨甲酰硫基乙酰胺
Property Insights of N-(3,4-二甲基苯基)-2-氨甲酰硫基乙酰胺
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-二甲基苯基)-2-氨甲酰硫基乙酰胺. The TPSA of 97.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-二甲基苯基)-2-氨甲酰硫基乙酰胺. Following Lipinski's Rule of Five, N-(3,4-二甲基苯基)-2-氨甲酰硫基乙酰胺 has 2 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 N-(3,4-二甲基苯基)-2-氨甲酰硫基乙酰胺?
The CAS number of N-(3,4-二甲基苯基)-2-氨甲酰硫基乙酰胺 is 102129-07-7.
What is the molecular formula of N-(3,4-二甲基苯基)-2-氨甲酰硫基乙酰胺?
The molecular formula of N-(3,4-二甲基苯基)-2-氨甲酰硫基乙酰胺 is C11H14N2O2S.
What is the molecular weight of N-(3,4-二甲基苯基)-2-氨甲酰硫基乙酰胺?
The molecular weight of N-(3,4-二甲基苯基)-2-氨甲酰硫基乙酰胺 is 238.08 g/mol.
Where can I buy N-(3,4-二甲基苯基)-2-氨甲酰硫基乙酰胺?
You can request a quote for N-(3,4-二甲基苯基)-2-氨甲酰硫基乙酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-二甲基苯基)-2-氨甲酰硫基乙酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-二甲基苯基)-2-氨甲酰硫基乙酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.