ChemDiv1_001197
TL;DR: ChemDiv1_001197 (CAS 313234-01-4) is a chemical compound with molecular formula C22H22N2O5S and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-carbamoyl-6-methoxychromen-2-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_001197, ethyl 2-[(3-carbamoyl-6-methoxy-2h-chromen-2-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(3-carbamoyl-6-methoxychromen-2-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{[(2Z)-3-carbamoyl-6-methoxy-2H-chromen-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H22N2O5S |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.12494 |
| Heavy Atoms | 30 |
| Complexity | 739.0 |
Chemical Identifiers
| CAS Number | 313234-01-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)N=C3C(=CC4=C(O3)C=CC(=C4)OC)C(=O)N |
| InChIKey | HHXRXTQAFIXJHY-UHFFFAOYSA-N |
Product Overview
ChemDiv1_001197 (CAS 313234-01-4), with molecular formula C22H22N2O5S and molecular weight 426.12 g/mol. IUPAC: ethyl 2-[(3-carbamoyl-6-methoxychromen-2-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_001197
Property Insights of ChemDiv1_001197
The XLogP value of 4.3 indicates that ChemDiv1_001197 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001197. Following Lipinski's Rule of Five, ChemDiv1_001197 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_001197?
The CAS number of ChemDiv1_001197 is 313234-01-4.
What is the molecular formula of ChemDiv1_001197?
The molecular formula of ChemDiv1_001197 is C22H22N2O5S.
What is the molecular weight of ChemDiv1_001197?
The molecular weight of ChemDiv1_001197 is 426.12 g/mol.
Where can I buy ChemDiv1_001197?
You can request a quote for ChemDiv1_001197 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001197?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001197 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.