A1808/0076417
TL;DR: A1808/0076417 (CAS 312289-34-2) is a chemical compound with molecular formula C21H22FN3O and molecular weight 351.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
Also Known As: A1808/0076417, (3Z)-3-[(3-fluorophenyl)imino]-1-[(4-methylpiperidin-1-yl)methyl]-1,3-dihydro-2H-indol-2-one, (3Z)-3-[(3-FLUOROPHENYL)IMINO]-1-[(4-METHYLPIPERIDIN-1-YL)METHYL]INDOL-2-ONE, (E)-3-((3-fluorophenyl)imino)-1-((4-methylpiperidin-1-yl)methyl)indolin-2-one, 3-[(3-fluorophenyl)imino]-1-[(4-methyl-1-piperidinyl)methyl]-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C21H22FN3O |
|---|---|
| Molecular Weight | 351.17 g/mol |
| LogP | 3.9825 |
| Topological Polar Surface Area | 35.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.17468 |
| Heavy Atoms | 26 |
| Complexity | 855.8396 |
Chemical Identifiers
| CAS Number | 312289-34-2 |
|---|---|
| SMILES | CC1CCN(CC1)CN2C3=CC=CC=C3C(=NC4=CC(=CC=C4)F)C2=O |
Product Overview
A1808/0076417 (CAS 312289-34-2), with molecular formula C21H22FN3O and molecular weight 351.17 g/mol. IUPAC: 3-(3-fluorophenyl)imino-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one.
Chemical Property Profile of A1808/0076417
Property Insights of A1808/0076417
The XLogP value of 3.9825 indicates that A1808/0076417 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.91 Ų, A1808/0076417 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1808/0076417 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 A1808/0076417?
The CAS number of A1808/0076417 is 312289-34-2.
What is the molecular formula of A1808/0076417?
The molecular formula of A1808/0076417 is C21H22FN3O.
What is the molecular weight of A1808/0076417?
The molecular weight of A1808/0076417 is 351.17 g/mol.
Where can I buy A1808/0076417?
You can request a quote for A1808/0076417 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1808/0076417?
Yes, KEHONG BIO provides custom synthesis services for A1808/0076417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.