C28H22ClN3O5
TL;DR: C28H22ClN3O5 (CAS 1014069-06-7) is a chemical compound with molecular formula C28H22ClN3O5 and molecular weight 515.1248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,3R,3aR,6aS)-5-(1,3-benzodioxol-5-yl)-1-benzyl-6'-chloro-7'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
Also Known As: (1S,3R,3aR,6aS)-5-(1,3-benzodioxol-5-yl)-1-benzyl-6'-chloro-7'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione, (1'R,3'S,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-yl)-3'-benzyl-6-chloro-7-methyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione, (3R,3'S,3a'S,6a'R)-5'-(1,3-benzodioxol-5-yl)-3'-benzyl-6-chloro-7-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Technical Specifications
| Molecular Formula | C28H22ClN3O5 |
| Molecular Weight | 515.1248 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 97.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 515.1248 Da |
| Heavy Atoms | 37 |
| Complexity | 973.0 |
| SMILES | CC1=C(C=CC2=C1NC(=O)[C@@]23[C@H]4[C@@H]([C@@H](N3)CC5=CC=CC=C5)C(=O)N(C4=O)C6=CC7=C(C=C6)OCO7)Cl |
| InChIKey | XZTBIWMMJZCLSO-NLPMMIMISA-N |
Chemical Property Profile of C28H22ClN3O5
Property Insights of C28H22ClN3O5
The XLogP value of 3.4 indicates that C28H22ClN3O5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H22ClN3O5. Following Lipinski's Rule of Five, C28H22ClN3O5 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C28H22ClN3O5?
The CAS number of C28H22ClN3O5 is 1014069-06-7.
What is the molecular formula of C28H22ClN3O5?
The molecular formula of C28H22ClN3O5 is C28H22ClN3O5.
What is the molecular weight of C28H22ClN3O5?
The molecular weight of C28H22ClN3O5 is 515.1248 g/mol.
Where can I buy C28H22ClN3O5?
You can request a quote for C28H22ClN3O5 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C28H22ClN3O5?
Yes, CoreyChem provides custom synthesis services for C28H22ClN3O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.