ChemDiv2_005027
TL;DR: ChemDiv2_005027 (CAS 755018-06-5) is a chemical compound with molecular formula C18H16N2O4S2 and molecular weight 388.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: ChemDiv2_005027, IDI1_003742, 2-{[(2-oxo-1,3-benzothiazol-3(2H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, 2-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, 2-[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
| Molecular Formula | C18H16N2O4S2 |
|---|---|
| Molecular Weight | 388.06 g/mol |
| LogP | 3.3402 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.05515 |
| Heavy Atoms | 26 |
| Complexity | 1076.7312 |
Chemical Identifiers
| CAS Number | 755018-06-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C4=CC=CC=C4SC3=O)C(=O)O |
Product Overview
ChemDiv2_005027 (CAS 755018-06-5), with molecular formula C18H16N2O4S2 and molecular weight 388.06 g/mol. IUPAC: 2-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of ChemDiv2_005027
Property Insights of ChemDiv2_005027
The XLogP value of 3.3402 indicates that ChemDiv2_005027 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005027. Following Lipinski's Rule of Five, ChemDiv2_005027 has 2 hydrogen bond donor(s) and 5 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 ChemDiv2_005027?
The CAS number of ChemDiv2_005027 is 755018-06-5.
What is the molecular formula of ChemDiv2_005027?
The molecular formula of ChemDiv2_005027 is C18H16N2O4S2.
What is the molecular weight of ChemDiv2_005027?
The molecular weight of ChemDiv2_005027 is 388.06 g/mol.
Where can I buy ChemDiv2_005027?
You can request a quote for ChemDiv2_005027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005027?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.