ChemDiv3_004459
TL;DR: ChemDiv3_004459 (CAS 536721-97-8) is a chemical compound with molecular formula C22H15N3O4S and molecular weight 417.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxoisoindol-2-yl)methyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
Also Known As: ChemDiv3_004459, IDI1_022369, BRD-K56470263-001-01-3, (1,3-dioxoisoindol-2-yl)methyl 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate, (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
| Molecular Formula | C22H15N3O4S |
|---|---|
| Molecular Weight | 417.08 g/mol |
| LogP | 3.80592 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.07834 |
| Heavy Atoms | 30 |
| Complexity | 1287.9196 |
Chemical Identifiers
| CAS Number | 536721-97-8 |
|---|---|
| SMILES | CC1=NN(C2=C1C=C(S2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5 |
Product Overview
ChemDiv3_004459 (CAS 536721-97-8), with molecular formula C22H15N3O4S and molecular weight 417.08 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl)methyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate.
Chemical Property Profile of ChemDiv3_004459
Property Insights of ChemDiv3_004459
The XLogP value of 3.80592 indicates that ChemDiv3_004459 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004459. Following Lipinski's Rule of Five, ChemDiv3_004459 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 ChemDiv3_004459?
The CAS number of ChemDiv3_004459 is 536721-97-8.
What is the molecular formula of ChemDiv3_004459?
The molecular formula of ChemDiv3_004459 is C22H15N3O4S.
What is the molecular weight of ChemDiv3_004459?
The molecular weight of ChemDiv3_004459 is 417.08 g/mol.
Where can I buy ChemDiv3_004459?
You can request a quote for ChemDiv3_004459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004459?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.