ChemDiv3_003799
TL;DR: ChemDiv3_003799 (CAS 1005093-75-3) is a chemical compound with molecular formula C27H26N2O5S and molecular weight 490.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-4,6-dioxo-3-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
Also Known As: ChemDiv3_003799, IDI1_021709, ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-4,6-dioxo-3-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate, F1312-0010, ethyl 2-(4,6-dioxo-3-phenyl-2-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C27H26N2O5S |
|---|---|
| Molecular Weight | 490.16 g/mol |
| LogP | 4.90116 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.15625 |
| Heavy Atoms | 35 |
| Complexity | 1318.3607 |
Chemical Identifiers
| CAS Number | 1005093-75-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4C)C5=CC=CC=C5 |
Product Overview
ChemDiv3_003799 (CAS 1005093-75-3), with molecular formula C27H26N2O5S and molecular weight 490.16 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-4,6-dioxo-3-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv3_003799
Property Insights of ChemDiv3_003799
The XLogP value of 4.90116 indicates that ChemDiv3_003799 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003799. Following Lipinski's Rule of Five, ChemDiv3_003799 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_003799?
The CAS number of ChemDiv3_003799 is 1005093-75-3.
What is the molecular formula of ChemDiv3_003799?
The molecular formula of ChemDiv3_003799 is C27H26N2O5S.
What is the molecular weight of ChemDiv3_003799?
The molecular weight of ChemDiv3_003799 is 490.16 g/mol.
Where can I buy ChemDiv3_003799?
You can request a quote for ChemDiv3_003799 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003799?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003799 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.