AB00672946-01
TL;DR: AB00672946-01 (CAS 687580-81-0) is a chemical compound with molecular formula C17H14F2N2O2 and molecular weight 316.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(2,5-difluorophenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
Also Known As: AB00672946-01, 3-(2,5-difluorophenyl)-2-methyl-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4(3H)-one, F0919-5868, 10-(2,5-difluorophenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-11-one, 10-(2,5-difluorophenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
| Molecular Formula | C17H14F2N2O2 |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | 3.7344 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.10233 |
| Heavy Atoms | 23 |
| Complexity | 810.9304 |
Chemical Identifiers
| CAS Number | 687580-81-0 |
|---|---|
| SMILES | CC12CC(C3=CC=CC=C3O1)NC(=O)N2C4=C(C=CC(=C4)F)F |
Product Overview
AB00672946-01 (CAS 687580-81-0), with molecular formula C17H14F2N2O2 and molecular weight 316.10 g/mol. IUPAC: 10-(2,5-difluorophenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one.
Chemical Property Profile of AB00672946-01
Property Insights of AB00672946-01
The XLogP value of 3.7344 indicates that AB00672946-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, AB00672946-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00672946-01 has 1 hydrogen bond donor(s) and 2 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 AB00672946-01?
The CAS number of AB00672946-01 is 687580-81-0.
What is the molecular formula of AB00672946-01?
The molecular formula of AB00672946-01 is C17H14F2N2O2.
What is the molecular weight of AB00672946-01?
The molecular weight of AB00672946-01 is 316.10 g/mol.
Where can I buy AB00672946-01?
You can request a quote for AB00672946-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672946-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672946-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.