ChemDiv1_025545
TL;DR: ChemDiv1_025545 (CAS 308290-43-9) is a chemical compound with molecular formula C23H22N4O5S2 and molecular weight 498.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-nitrophenyl)-5-phenyl-2-(3,4,4-trimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: ChemDiv1_025545, 3-(3-nitrophenyl)-5-phenyl-2-(3,4,4-trimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-{3-nitrophenyl}-5-phenyl-2-(3,4,4-trimethyl-2-thioxo-1,3-thiazolidin-5-yl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, 3-(3-NITROPHENYL)-5-PHENYL-2-(3,4,4-TRIMETHYL-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YL)-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOLE-4,6-DIONE, 3-(3-nitrophenyl)-5-phenyl-2-(3,4,4-trimethyl-2-thioxo-1,3-thiazolidin-5-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
| Molecular Formula | C23H22N4O5S2 |
|---|---|
| Molecular Weight | 498.10 g/mol |
| LogP | 3.5095 |
| Topological Polar Surface Area | 96.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.10315 |
| Heavy Atoms | 34 |
| Complexity | 1206.8564 |
Chemical Identifiers
| CAS Number | 308290-43-9 |
|---|---|
| SMILES | CC1(C(SC(=S)N1C)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C |
Product Overview
ChemDiv1_025545 (CAS 308290-43-9), with molecular formula C23H22N4O5S2 and molecular weight 498.10 g/mol. IUPAC: 3-(3-nitrophenyl)-5-phenyl-2-(3,4,4-trimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of ChemDiv1_025545
Property Insights of ChemDiv1_025545
The XLogP value of 3.5095 indicates that ChemDiv1_025545 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025545. Following Lipinski's Rule of Five, ChemDiv1_025545 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 ChemDiv1_025545?
The CAS number of ChemDiv1_025545 is 308290-43-9.
What is the molecular formula of ChemDiv1_025545?
The molecular formula of ChemDiv1_025545 is C23H22N4O5S2.
What is the molecular weight of ChemDiv1_025545?
The molecular weight of ChemDiv1_025545 is 498.10 g/mol.
Where can I buy ChemDiv1_025545?
You can request a quote for ChemDiv1_025545 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025545?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025545 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.