ChemDiv3_007860
TL;DR: ChemDiv3_007860 (CAS 686736-57-2) is a chemical compound with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(2,3-dimethylphenyl)carbamothioylamino]-1H-indole-2-carboxylate
Also Known As: ChemDiv3_007860, IDI1_025770, AB00668904-01, ethyl 3-[(2,3-dimethylphenyl)carbamothioylamino]-1H-indole-2-carboxylate, ethyl 3-{[(2,3-dimethylphenyl)carbamothioyl]amino}-1H-indole-2-carboxylate
| Molecular Formula | C20H21N3O2S |
|---|---|
| Molecular Weight | 367.14 g/mol |
| LogP | 4.77034 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.13544 |
| Heavy Atoms | 26 |
| Complexity | 978.3468 |
Chemical Identifiers
| CAS Number | 686736-57-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=S)NC3=CC=CC(=C3C)C |
Product Overview
ChemDiv3_007860 (CAS 686736-57-2), with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol. IUPAC: ethyl 3-[(2,3-dimethylphenyl)carbamothioylamino]-1H-indole-2-carboxylate.
Chemical Property Profile of ChemDiv3_007860
Property Insights of ChemDiv3_007860
The XLogP value of 4.77034 indicates that ChemDiv3_007860 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_007860. Following Lipinski's Rule of Five, ChemDiv3_007860 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 ChemDiv3_007860?
The CAS number of ChemDiv3_007860 is 686736-57-2.
What is the molecular formula of ChemDiv3_007860?
The molecular formula of ChemDiv3_007860 is C20H21N3O2S.
What is the molecular weight of ChemDiv3_007860?
The molecular weight of ChemDiv3_007860 is 367.14 g/mol.
Where can I buy ChemDiv3_007860?
You can request a quote for ChemDiv3_007860 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007860?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.