ChemDiv1_002901
TL;DR: ChemDiv1_002901 (CAS 5986-99-2) is a chemical compound with molecular formula C18H19NO5S and molecular weight 361.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-4,5-dimethylthiophene-3-carboxylate
Also Known As: ChemDiv1_002901, CBKinase1_001120, CBKinase1_013520, BAS 03305759, AB00101759-01
| Molecular Formula | C18H19NO5S |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 3.32014 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.0984 |
| Heavy Atoms | 25 |
| Complexity | 813.7929 |
Chemical Identifiers
| CAS Number | 5986-99-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2COC3=CC=CC=C3O2 |
Product Overview
ChemDiv1_002901 (CAS 5986-99-2), with molecular formula C18H19NO5S and molecular weight 361.10 g/mol. IUPAC: ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_002901
Property Insights of ChemDiv1_002901
The XLogP value of 3.32014 indicates that ChemDiv1_002901 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002901. Following Lipinski's Rule of Five, ChemDiv1_002901 has 1 hydrogen bond donor(s) and 6 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 ChemDiv1_002901?
The CAS number of ChemDiv1_002901 is 5986-99-2.
What is the molecular formula of ChemDiv1_002901?
The molecular formula of ChemDiv1_002901 is C18H19NO5S.
What is the molecular weight of ChemDiv1_002901?
The molecular weight of ChemDiv1_002901 is 361.10 g/mol.
Where can I buy ChemDiv1_002901?
You can request a quote for ChemDiv1_002901 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002901?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.