C22H17ClFN3O5
TL;DR: C22H17ClFN3O5 (CAS 1014068-97-3) is a chemical compound with molecular formula C22H17ClFN3O5 and molecular weight 457.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1S,3R,3aR,6aS)-5-(3-chloro-4-fluorophenyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanoic acid
Also Known As: 3-((1'R,3'S,3a'S,6a'R)-5'-(3-chloro-4-fluorophenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl)propanoic acid, 3-[(1S,3R,3aR,6aS)-5-(3-chloro-4-fluorophenyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanoic acid, 3-[(3R,3'S,3a'S,6a'R)-5'-(3-chloro-4-fluorophenyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoic acid, C22H17ClFN3O5
| Molecular Formula | C22H17ClFN3O5 |
|---|---|
| Molecular Weight | 457.08 g/mol |
| LogP | 2.2689 |
| Topological Polar Surface Area | 115.81 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.08408 |
| Heavy Atoms | 32 |
| Complexity | 1203.8387 |
Chemical Identifiers
| CAS Number | 1014068-97-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)[C@]3([C@H]4[C@@H]([C@@H](N3)CCC(=O)O)C(=O)N(C4=O)C5=CC(=C(C=C5)F)Cl)C(=O)N2 |
Product Overview
C22H17ClFN3O5 (CAS 1014068-97-3), with molecular formula C22H17ClFN3O5 and molecular weight 457.08 g/mol. IUPAC: 3-[(1S,3R,3aR,6aS)-5-(3-chloro-4-fluorophenyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanoic acid.
Chemical Property Profile of C22H17ClFN3O5
Property Insights of C22H17ClFN3O5
The XLogP value of 2.2689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H17ClFN3O5. The TPSA of 115.81 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H17ClFN3O5. Following Lipinski's Rule of Five, C22H17ClFN3O5 has 3 hydrogen bond donor(s) and 5 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 C22H17ClFN3O5?
The CAS number of C22H17ClFN3O5 is 1014068-97-3.
What is the molecular formula of C22H17ClFN3O5?
The molecular formula of C22H17ClFN3O5 is C22H17ClFN3O5.
What is the molecular weight of C22H17ClFN3O5?
The molecular weight of C22H17ClFN3O5 is 457.08 g/mol.
Where can I buy C22H17ClFN3O5?
You can request a quote for C22H17ClFN3O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H17ClFN3O5?
Yes, KEHONG BIO provides custom synthesis services for C22H17ClFN3O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.