A4037/0172099
TL;DR: A4037/0172099 (CAS 900017-59-6) is a chemical compound with molecular formula C25H19FN2O3 and molecular weight 414.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[1-[(2-fluorophenyl)methyl]indol-3-yl]ethane-1,2-dione
Also Known As: A4037/0172099, 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[1-[(2-fluorophenyl)methyl]indol-3-yl]ethane-1,2-dione, 1-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-[1-(2-fluorobenzyl)-1H-indol-3-yl]ethane-1,2-dione, 1-(3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)-2-{1-[(2-FLUOROPHENYL)METHYL]-1H-INDOL-3-YL}ETHANE-1,2-DIONE, 2-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-[1-(2-fluorobenzyl)-1H-indol-3-yl]-2-oxoethanone
| Molecular Formula | C25H19FN2O3 |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 4.437 |
| Topological Polar Surface Area | 51.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.13797 |
| Heavy Atoms | 31 |
| Complexity | 1311.1284 |
Chemical Identifiers
| CAS Number | 900017-59-6 |
|---|---|
| SMILES | C1COC2=CC=CC=C2N1C(=O)C(=O)C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5F |
Product Overview
A4037/0172099 (CAS 900017-59-6), with molecular formula C25H19FN2O3 and molecular weight 414.14 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[1-[(2-fluorophenyl)methyl]indol-3-yl]ethane-1,2-dione.
Chemical Property Profile of A4037/0172099
Property Insights of A4037/0172099
The XLogP value of 4.437 indicates that A4037/0172099 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.54 Ų, A4037/0172099 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4037/0172099 has 0 hydrogen bond donor(s) and 3 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 A4037/0172099?
The CAS number of A4037/0172099 is 900017-59-6.
What is the molecular formula of A4037/0172099?
The molecular formula of A4037/0172099 is C25H19FN2O3.
What is the molecular weight of A4037/0172099?
The molecular weight of A4037/0172099 is 414.14 g/mol.
Where can I buy A4037/0172099?
You can request a quote for A4037/0172099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4037/0172099?
Yes, KEHONG BIO provides custom synthesis services for A4037/0172099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.