ChemDiv1_010295
TL;DR: ChemDiv1_010295 (CAS 442564-75-2) is a chemical compound with molecular formula C19H25N3O4S2 and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_010295, F1199-0126, (E)-methyl 2-(2-(3-ethyl-2-(ethylimino)-4-oxothiazolidin-5-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[[2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-{2-[(2E)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H25N3O4S2 |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 3.0819 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.12866 |
| Heavy Atoms | 28 |
| Complexity | 818.3459 |
Chemical Identifiers
| CAS Number | 442564-75-2 |
|---|---|
| SMILES | CCN=C1N(C(=O)C(S1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)CC |
Product Overview
ChemDiv1_010295 (CAS 442564-75-2), with molecular formula C19H25N3O4S2 and molecular weight 423.13 g/mol. IUPAC: methyl 2-[[2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_010295
Property Insights of ChemDiv1_010295
The XLogP value of 3.0819 indicates that ChemDiv1_010295 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010295. Following Lipinski's Rule of Five, ChemDiv1_010295 has 1 hydrogen bond donor(s) and 7 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_010295?
The CAS number of ChemDiv1_010295 is 442564-75-2.
What is the molecular formula of ChemDiv1_010295?
The molecular formula of ChemDiv1_010295 is C19H25N3O4S2.
What is the molecular weight of ChemDiv1_010295?
The molecular weight of ChemDiv1_010295 is 423.13 g/mol.
Where can I buy ChemDiv1_010295?
You can request a quote for ChemDiv1_010295 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010295?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010295 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.