AN-979/40712387
TL;DR: AN-979/40712387 (CAS 496913-92-9) is a chemical compound with molecular formula C19H11N3O8 and molecular weight 409.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]-4-oxo-3,1-benzoxazin-6-yl] acetate
Also Known As: AN-979/40712387, 2-[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate, [2-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]-4-oxo-3,1-benzoxazin-6-yl] acetate, 2-((5-nitro-1,3-dioxoisoindolin-2-yl)methyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate, 2-({5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}methyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
| Molecular Formula | C19H11N3O8 |
|---|---|
| Molecular Weight | 409.05 g/mol |
| LogP | 1.8177 |
| Topological Polar Surface Area | 149.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.05463 |
| Heavy Atoms | 30 |
| Complexity | 1327.0944 |
Chemical Identifiers
| CAS Number | 496913-92-9 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)N=C(OC2=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-] |
Product Overview
AN-979/40712387 (CAS 496913-92-9), with molecular formula C19H11N3O8 and molecular weight 409.05 g/mol. IUPAC: [2-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]-4-oxo-3,1-benzoxazin-6-yl] acetate.
Chemical Property Profile of AN-979/40712387
Property Insights of AN-979/40712387
The XLogP value of 1.8177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-979/40712387. The TPSA of 149.92 Ų indicates high polarity, suggesting AN-979/40712387 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AN-979/40712387 has 0 hydrogen bond donor(s) and 9 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 AN-979/40712387?
The CAS number of AN-979/40712387 is 496913-92-9.
What is the molecular formula of AN-979/40712387?
The molecular formula of AN-979/40712387 is C19H11N3O8.
What is the molecular weight of AN-979/40712387?
The molecular weight of AN-979/40712387 is 409.05 g/mol.
Where can I buy AN-979/40712387?
You can request a quote for AN-979/40712387 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-979/40712387?
Yes, KEHONG BIO provides custom synthesis services for AN-979/40712387 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.