AB00719666-01
TL;DR: AB00719666-01 (CAS 734536-87-9) is a chemical compound with molecular formula C23H19F2NO5 and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-formylbenzoate
Also Known As: AB00719666-01, [2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-formylbenzoate, 2-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1h-pyrrol-3-yl}-2-oxoethyl 4-formylbenzoate, [2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-formylbenzoate
| Molecular Formula | C23H19F2NO5 |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 4.54774 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.12314 |
| Heavy Atoms | 31 |
| Complexity | 1102.2456 |
Chemical Identifiers
| CAS Number | 734536-87-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)COC(=O)C3=CC=C(C=C3)C=O |
Product Overview
AB00719666-01 (CAS 734536-87-9), with molecular formula C23H19F2NO5 and molecular weight 427.12 g/mol. IUPAC: [2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-formylbenzoate.
Chemical Property Profile of AB00719666-01
Property Insights of AB00719666-01
The XLogP value of 4.54774 indicates that AB00719666-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00719666-01. Following Lipinski's Rule of Five, AB00719666-01 has 0 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 AB00719666-01?
The CAS number of AB00719666-01 is 734536-87-9.
What is the molecular formula of AB00719666-01?
The molecular formula of AB00719666-01 is C23H19F2NO5.
What is the molecular weight of AB00719666-01?
The molecular weight of AB00719666-01 is 427.12 g/mol.
Where can I buy AB00719666-01?
You can request a quote for AB00719666-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00719666-01?
Yes, KEHONG BIO provides custom synthesis services for AB00719666-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.