ChemDiv2_003829
TL;DR: ChemDiv2_003829 (CAS 476409-99-1) is a chemical compound with molecular formula C27H24N2O7 and molecular weight 488.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Also Known As: ChemDiv2_003829, BAS 00793948, IDI1_002544, F0272-0042, methyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
| Molecular Formula | C27H24N2O7 |
|---|---|
| Molecular Weight | 488.16 g/mol |
| LogP | 3.5415 |
| Topological Polar Surface Area | 94.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.15836 |
| Heavy Atoms | 36 |
| Complexity | 1309.4573 |
Chemical Identifiers
| CAS Number | 476409-99-1 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC)ON2C5=CC=CC=C5)OC |
Product Overview
ChemDiv2_003829 (CAS 476409-99-1), with molecular formula C27H24N2O7 and molecular weight 488.16 g/mol. IUPAC: methyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate.
Chemical Property Profile of ChemDiv2_003829
Property Insights of ChemDiv2_003829
The XLogP value of 3.5415 indicates that ChemDiv2_003829 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.61 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003829. Following Lipinski's Rule of Five, ChemDiv2_003829 has 0 hydrogen bond donor(s) and 8 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 ChemDiv2_003829?
The CAS number of ChemDiv2_003829 is 476409-99-1.
What is the molecular formula of ChemDiv2_003829?
The molecular formula of ChemDiv2_003829 is C27H24N2O7.
What is the molecular weight of ChemDiv2_003829?
The molecular weight of ChemDiv2_003829 is 488.16 g/mol.
Where can I buy ChemDiv2_003829?
You can request a quote for ChemDiv2_003829 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003829?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.