C22H17N3O6
TL;DR: C22H17N3O6 (CAS 1013823-16-9) is a chemical compound with molecular formula C22H17N3O6 and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,11S,12R,16S)-14-(3-nitrophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxylate
Also Known As: (8S,8aR,11aS,11bS)-methyl 10-(3-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate, methyl (8S,8aR,11aS,11bS)-10-(3-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
| Molecular Formula | C22H17N3O6 |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 2.2832 |
| Topological Polar Surface Area | 110.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.11172 |
| Heavy Atoms | 31 |
| Complexity | 1175.3412 |
Chemical Identifiers
| CAS Number | 1013823-16-9 |
|---|---|
| SMILES | COC(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
C22H17N3O6 (CAS 1013823-16-9), with molecular formula C22H17N3O6 and molecular weight 419.11 g/mol. IUPAC: methyl (1S,11S,12R,16S)-14-(3-nitrophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxylate.
Chemical Property Profile of C22H17N3O6
Property Insights of C22H17N3O6
The XLogP value of 2.2832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H17N3O6. The TPSA of 110.06 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H17N3O6. Following Lipinski's Rule of Five, C22H17N3O6 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 C22H17N3O6?
The CAS number of C22H17N3O6 is 1013823-16-9.
What is the molecular formula of C22H17N3O6?
The molecular formula of C22H17N3O6 is C22H17N3O6.
What is the molecular weight of C22H17N3O6?
The molecular weight of C22H17N3O6 is 419.11 g/mol.
Where can I buy C22H17N3O6?
You can request a quote for C22H17N3O6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H17N3O6?
Yes, KEHONG BIO provides custom synthesis services for C22H17N3O6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.