ChemDiv3_006788
TL;DR: ChemDiv3_006788 (CAS 675844-86-7) is a chemical compound with molecular formula C14H12N2O6 and molecular weight 304.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-methoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate
Also Known As: ChemDiv3_006788, BAS 07804477, IDI1_024698, A3561/0151055, methyl 5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate
| Molecular Formula | C14H12N2O6 |
|---|---|
| Molecular Weight | 304.07 g/mol |
| LogP | 0.1124 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.06955 |
| Heavy Atoms | 22 |
| Complexity | 681.0784 |
Chemical Identifiers
| CAS Number | 675844-86-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3C(C2=O)ON=C3C(=O)OC |
Product Overview
ChemDiv3_006788 (CAS 675844-86-7), with molecular formula C14H12N2O6 and molecular weight 304.07 g/mol. IUPAC: methyl 5-(4-methoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate.
Chemical Property Profile of ChemDiv3_006788
Property Insights of ChemDiv3_006788
The XLogP value of 0.1124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_006788. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006788. Following Lipinski's Rule of Five, ChemDiv3_006788 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 ChemDiv3_006788?
The CAS number of ChemDiv3_006788 is 675844-86-7.
What is the molecular formula of ChemDiv3_006788?
The molecular formula of ChemDiv3_006788 is C14H12N2O6.
What is the molecular weight of ChemDiv3_006788?
The molecular weight of ChemDiv3_006788 is 304.07 g/mol.
Where can I buy ChemDiv3_006788?
You can request a quote for ChemDiv3_006788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006788?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.