CDS1_001721
TL;DR: CDS1_001721 (CAS 428822-80-4) is a chemical compound with molecular formula C27H21N3O6 and molecular weight 483.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[(4Z)-4-[[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate
Also Known As: CDS1_001721, AN-648/15597022, isopropyl 4-(4-{[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-2-furyl]methylene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate, propan-2-yl 4-[(4Z)-4-[[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate, PROPAN-2-YL 4-[(4Z)-4-{[5-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-5-YL)FURAN-2-YL]METHYLIDENE}-3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL]BENZOATE
| Molecular Formula | C27H21N3O6 |
|---|---|
| Molecular Weight | 483.14 g/mol |
| LogP | 4.2015 |
| Topological Polar Surface Area | 118.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.14304 |
| Heavy Atoms | 36 |
| Complexity | 1493.9017 |
Chemical Identifiers
| CAS Number | 428822-80-4 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)C3=CC4=C(C=C3)C(=O)NC4=O)C5=CC=C(C=C5)C(=O)OC(C)C |
Product Overview
CDS1_001721 (CAS 428822-80-4), with molecular formula C27H21N3O6 and molecular weight 483.14 g/mol. IUPAC: propan-2-yl 4-[(4Z)-4-[[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate.
Chemical Property Profile of CDS1_001721
Property Insights of CDS1_001721
The XLogP value of 4.2015 indicates that CDS1_001721 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.28 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_001721. Following Lipinski's Rule of Five, CDS1_001721 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 CDS1_001721?
The CAS number of CDS1_001721 is 428822-80-4.
What is the molecular formula of CDS1_001721?
The molecular formula of CDS1_001721 is C27H21N3O6.
What is the molecular weight of CDS1_001721?
The molecular weight of CDS1_001721 is 483.14 g/mol.
Where can I buy CDS1_001721?
You can request a quote for CDS1_001721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_001721?
Yes, KEHONG BIO provides custom synthesis services for CDS1_001721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.