D074-0047
TL;DR: D074-0047 (CAS 879946-08-4) is a chemical compound with molecular formula C22H16ClN3O3 and molecular weight 405.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: D074-0047, 4-(4-chlorophenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one, (3Z)-4-(4-chlorophenyl)-5-(furan-2-ylmethyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one, 4-(4-chlorophenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one, 4-(4-chlorophenyl)-5-(furan-2-ylmethyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
| Molecular Formula | C22H16ClN3O3 |
|---|---|
| Molecular Weight | 405.09 g/mol |
| LogP | 4.7741 |
| Topological Polar Surface Area | 82.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.088 |
| Heavy Atoms | 29 |
| Complexity | 1182.5051 |
Chemical Identifiers
| CAS Number | 879946-08-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NNC3=C2C(N(C3=O)CC4=CC=CO4)C5=CC=C(C=C5)Cl)O |
Product Overview
D074-0047 (CAS 879946-08-4), with molecular formula C22H16ClN3O3 and molecular weight 405.09 g/mol. IUPAC: 4-(4-chlorophenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
Chemical Property Profile of D074-0047
Property Insights of D074-0047
The XLogP value of 4.7741 indicates that D074-0047 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.36 Ų falls within the moderate polarity range, balancing permeability and solubility for D074-0047. Following Lipinski's Rule of Five, D074-0047 has 2 hydrogen bond donor(s) and 4 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 D074-0047?
The CAS number of D074-0047 is 879946-08-4.
What is the molecular formula of D074-0047?
The molecular formula of D074-0047 is C22H16ClN3O3.
What is the molecular weight of D074-0047?
The molecular weight of D074-0047 is 405.09 g/mol.
Where can I buy D074-0047?
You can request a quote for D074-0047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D074-0047?
Yes, KEHONG BIO provides custom synthesis services for D074-0047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.