ChemDiv1_009970
TL;DR: ChemDiv1_009970 (CAS 438470-17-8) is a chemical compound with molecular formula C24H19NO5S and molecular weight 433.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-2-thiophen-2-ylethyl) 4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzoate
Also Known As: ChemDiv1_009970, RCL L210137, 2-oxo-2-(thiophen-2-yl)ethyl 4-(1,3-dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate, 2-oxo-2-(thiophen-2-yl)ethyl 4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate, 2-oxo-2-(2-thienyl)ethyl 4-(3,5-dioxo-4-azatetracyclo[5.3.2.0<2,6>.0<8,10>]dod ec-11-en-4-yl)benzoate
| Molecular Formula | C24H19NO5S |
|---|---|
| Molecular Weight | 433.10 g/mol |
| LogP | 3.3453 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.0984 |
| Heavy Atoms | 31 |
| Complexity | 1099.2294 |
Chemical Identifiers
| CAS Number | 438470-17-8 |
|---|---|
| SMILES | C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=CC=C(C=C5)C(=O)OCC(=O)C6=CC=CS6 |
Product Overview
ChemDiv1_009970 (CAS 438470-17-8), with molecular formula C24H19NO5S and molecular weight 433.10 g/mol. IUPAC: (2-oxo-2-thiophen-2-ylethyl) 4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzoate.
Chemical Property Profile of ChemDiv1_009970
Property Insights of ChemDiv1_009970
The XLogP value of 3.3453 indicates that ChemDiv1_009970 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009970. Following Lipinski's Rule of Five, ChemDiv1_009970 has 0 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_009970?
The CAS number of ChemDiv1_009970 is 438470-17-8.
What is the molecular formula of ChemDiv1_009970?
The molecular formula of ChemDiv1_009970 is C24H19NO5S.
What is the molecular weight of ChemDiv1_009970?
The molecular weight of ChemDiv1_009970 is 433.10 g/mol.
Where can I buy ChemDiv1_009970?
You can request a quote for ChemDiv1_009970 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009970?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009970 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.