nchembio.79-comp19
TL;DR: nchembio.79-comp19 (CAS 108068-98-0) is a chemical compound with molecular formula C32H31N3O5 and molecular weight 537.2264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexyl 16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate
Also Known As: nchembio.79-comp19, KT 5720, PROTEIN KINASE INHIBITOR KT 5720, (9R,10S,12S)-2,3,9,10,11,12-Hexahydro-10-hydroxy-9-meth yl-1-oxo-9,12-epoxy-1H-diindolo[1,2,3-fg:3,2,1-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid, hexyl ester, hexyl 6-hydroxy-5-methyl-13-oxo-5,6,7,8,14,15-hexahydro-13h-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6-carboxylate
Technical Specifications
| Molecular Formula | C32H31N3O5 |
| Molecular Weight | 537.2264 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 94.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 537.2264 Da |
| Heavy Atoms | 40 |
| Complexity | 1060.0 |
| SMILES | CCCCCCOC(=O)C1(CC2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C7=C53)C1(O2)C)CNC6=O)O |
| InChIKey | ZHEHVZXPFVXKEY-UHFFFAOYSA-N |
Chemical Property Profile of nchembio.79-comp19
Property Insights of nchembio.79-comp19
The XLogP value of 5.1 indicates that nchembio.79-comp19 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for nchembio.79-comp19. Following Lipinski's Rule of Five, nchembio.79-comp19 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of nchembio.79-comp19?
The CAS number of nchembio.79-comp19 is 108068-98-0.
What is the molecular formula of nchembio.79-comp19?
The molecular formula of nchembio.79-comp19 is C32H31N3O5.
What is the molecular weight of nchembio.79-comp19?
The molecular weight of nchembio.79-comp19 is 537.2264 g/mol.
Where can I buy nchembio.79-comp19?
You can request a quote for nchembio.79-comp19 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for nchembio.79-comp19?
Yes, CoreyChem provides custom synthesis services for nchembio.79-comp19 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.