AB00096176-01
TL;DR: AB00096176-01 (CAS 351980-44-4) is a chemical compound with molecular formula C24H14N2O6 and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]benzoate
Also Known As: AB00096176-01, methyl 4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]benzoate, methyl 4-(1,3-dioxo-5-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)isoindolin-2-yl)benzoate, methyl 4-[1,3-dioxo-5-(4-oxobenzo[d]1,3-oxazin-2-yl)benzo[c]azolidin-2-yl]benz oate, methyl 4-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]benzoate
| Molecular Formula | C24H14N2O6 |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 3.4422 |
| Topological Polar Surface Area | 106.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.08517 |
| Heavy Atoms | 32 |
| Complexity | 1486.8942 |
Chemical Identifiers
| CAS Number | 351980-44-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4 |
Product Overview
AB00096176-01 (CAS 351980-44-4), with molecular formula C24H14N2O6 and molecular weight 426.09 g/mol. IUPAC: methyl 4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]benzoate.
Chemical Property Profile of AB00096176-01
Property Insights of AB00096176-01
The XLogP value of 3.4422 indicates that AB00096176-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00096176-01. Following Lipinski's Rule of Five, AB00096176-01 has 0 hydrogen bond donor(s) and 7 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 AB00096176-01?
The CAS number of AB00096176-01 is 351980-44-4.
What is the molecular formula of AB00096176-01?
The molecular formula of AB00096176-01 is C24H14N2O6.
What is the molecular weight of AB00096176-01?
The molecular weight of AB00096176-01 is 426.09 g/mol.
Where can I buy AB00096176-01?
You can request a quote for AB00096176-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00096176-01?
Yes, KEHONG BIO provides custom synthesis services for AB00096176-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.