A3688/0156485
TL;DR: A3688/0156485 (CAS 1005065-15-5) is a chemical compound with molecular formula C17H16FNO4 and molecular weight 317.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-fluorophenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
Also Known As: A3688/0156485, methyl 2-(4-fluorobenzyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate, METHYL 3-[(4-FLUOROPHENYL)METHYL]-4-OXO-10-OXA-3-AZATRICYCLO[5.2.1.0{15}]DEC-8-ENE-6-CARBOXYLATE
| Molecular Formula | C17H16FNO4 |
|---|---|
| Molecular Weight | 317.11 g/mol |
| LogP | 1.2807 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.10632 |
| Heavy Atoms | 23 |
| Complexity | 701.04987 |
Chemical Identifiers
| CAS Number | 1005065-15-5 |
|---|---|
| SMILES | COC(=O)C1C2C=CC3(C1C(=O)N(C3)CC4=CC=C(C=C4)F)O2 |
Product Overview
A3688/0156485 (CAS 1005065-15-5), with molecular formula C17H16FNO4 and molecular weight 317.11 g/mol. IUPAC: methyl 3-[(4-fluorophenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate.
Chemical Property Profile of A3688/0156485
Property Insights of A3688/0156485
The XLogP value of 1.2807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3688/0156485. With a topological polar surface area (TPSA) of 55.84 Ų, A3688/0156485 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3688/0156485 has 0 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 A3688/0156485?
The CAS number of A3688/0156485 is 1005065-15-5.
What is the molecular formula of A3688/0156485?
The molecular formula of A3688/0156485 is C17H16FNO4.
What is the molecular weight of A3688/0156485?
The molecular weight of A3688/0156485 is 317.11 g/mol.
Where can I buy A3688/0156485?
You can request a quote for A3688/0156485 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3688/0156485?
Yes, KEHONG BIO provides custom synthesis services for A3688/0156485 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.