AB00081417-01
TL;DR: AB00081417-01 (CAS 317840-84-9) is a chemical compound with molecular formula C13H12FN3O2 and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[2-(4-fluorophenyl)-1-hydroxy-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine
Also Known As: AB00081417-01, AB00081417-04, (4E)-2-(4-fluorophenyl)-4-(hydroxyimino)-4,5,6,7-tetrahydro-1H-benzimidazol-1-ol, (NE)-N-[2-(4-fluorophenyl)-1-hydroxy-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine, (E)-2-(4-fluorophenyl)-1-hydroxy-6,7-dihydro-1H-benzo[d]imidazol-4(5H)-one oxime
| Molecular Formula | C13H12FN3O2 |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 2.4411 |
| Topological Polar Surface Area | 70.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.09137 |
| Heavy Atoms | 19 |
| Complexity | 646.6531 |
Chemical Identifiers
| CAS Number | 317840-84-9 |
|---|---|
| SMILES | C1CC2=C(/C(=N/O)/C1)N=C(N2O)C3=CC=C(C=C3)F |
Product Overview
AB00081417-01 (CAS 317840-84-9), with molecular formula C13H12FN3O2 and molecular weight 261.09 g/mol. IUPAC: (NE)-N-[2-(4-fluorophenyl)-1-hydroxy-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine.
Chemical Property Profile of AB00081417-01
Property Insights of AB00081417-01
The XLogP value of 2.4411 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00081417-01. The TPSA of 70.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00081417-01. Following Lipinski's Rule of Five, AB00081417-01 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 AB00081417-01?
The CAS number of AB00081417-01 is 317840-84-9.
What is the molecular formula of AB00081417-01?
The molecular formula of AB00081417-01 is C13H12FN3O2.
What is the molecular weight of AB00081417-01?
The molecular weight of AB00081417-01 is 261.09 g/mol.
Where can I buy AB00081417-01?
You can request a quote for AB00081417-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00081417-01?
Yes, KEHONG BIO provides custom synthesis services for AB00081417-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.