AB01311136-01
TL;DR: AB01311136-01 (CAS 889955-74-2) is a chemical compound with molecular formula C24H18FN3O4 and molecular weight 431.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(4-fluorophenyl)-3-(furan-2-yl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
Also Known As: AB01311136-01, AT-057/43468692, A3951/0168303, C390-0479, ethyl 4-[4-(4-fluorophenyl)-3-(furan-2-yl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
| Molecular Formula | C24H18FN3O4 |
|---|---|
| Molecular Weight | 431.13 g/mol |
| LogP | 4.7353 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.12814 |
| Heavy Atoms | 32 |
| Complexity | 1278.0477 |
Chemical Identifiers
| CAS Number | 889955-74-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(C3=C(NN=C3C2=O)C4=CC=CO4)C5=CC=C(C=C5)F |
Product Overview
AB01311136-01 (CAS 889955-74-2), with molecular formula C24H18FN3O4 and molecular weight 431.13 g/mol. IUPAC: ethyl 4-[4-(4-fluorophenyl)-3-(furan-2-yl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate.
Chemical Property Profile of AB01311136-01
Property Insights of AB01311136-01
The XLogP value of 4.7353 indicates that AB01311136-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01311136-01. Following Lipinski's Rule of Five, AB01311136-01 has 1 hydrogen bond donor(s) and 5 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 AB01311136-01?
The CAS number of AB01311136-01 is 889955-74-2.
What is the molecular formula of AB01311136-01?
The molecular formula of AB01311136-01 is C24H18FN3O4.
What is the molecular weight of AB01311136-01?
The molecular weight of AB01311136-01 is 431.13 g/mol.
Where can I buy AB01311136-01?
You can request a quote for AB01311136-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01311136-01?
Yes, KEHONG BIO provides custom synthesis services for AB01311136-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.