C28H21N3O5
TL;DR: C28H21N3O5 (CAS 1013888-33-9) is a chemical compound with molecular formula C28H21N3O5 and molecular weight 479.14813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,11S,12R,16S)-14-(1,3-benzodioxol-5-yl)-13,15-dioxo-N-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
Also Known As: (8S,8aR,11aS,11bS)-10-(1,3-benzodioxol-5-yl)-9,11-dioxo-N-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide, (8S,8aR,11aS,11bS)-10-(benzo[d][1,3]dioxol-5-yl)-9,11-dioxo-N-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Technical Specifications
| Molecular Formula | C28H21N3O5 |
| Molecular Weight | 479.14813 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 88.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 479.14813 Da |
| Heavy Atoms | 36 |
| Complexity | 947.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)N3C(=O)[C@H]4[C@@H](C3=O)[C@H](N5[C@@H]4C6=CC=CC=C6C=C5)C(=O)NC7=CC=CC=C7 |
| InChIKey | YWZHPRQSLIDCNG-LIONHTAISA-N |
Chemical Property Profile of C28H21N3O5
Property Insights of C28H21N3O5
The XLogP value of 3.2 indicates that C28H21N3O5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H21N3O5. Following Lipinski's Rule of Five, C28H21N3O5 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C28H21N3O5?
The CAS number of C28H21N3O5 is 1013888-33-9.
What is the molecular formula of C28H21N3O5?
The molecular formula of C28H21N3O5 is C28H21N3O5.
What is the molecular weight of C28H21N3O5?
The molecular weight of C28H21N3O5 is 479.14813 g/mol.
Where can I buy C28H21N3O5?
You can request a quote for C28H21N3O5 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C28H21N3O5?
Yes, CoreyChem provides custom synthesis services for C28H21N3O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.