NCI60_036252
TL;DR: NCI60_036252 (CAS 208848-41-3) is a chemical compound with molecular formula C26H23N3O3S and molecular weight 457.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(22S)-13-methoxy-18-methylsulfanyl-19-oxo-4,11-diazapentacyclo[12.10.0.03,12.05,10.015,21]tetracosa-1,3,5,7,9,11,13,15,17,20-decaen-22-yl]acetamide
Also Known As: NCI60_036252, N-[(6S)-4,6,7,8-Tetrahydro-16-methoxy-3-(methylthio)-4-oxoheptaleno[1,2-b]phenazin-6-yl]acetamide, N-[(6S)-16-Methoxy-3-(methylsulfanyl)-4-oxo-4,6,7,8-tetrahydroheptaleno[1,2-b]phenazin-6-yl]acetamide
| Molecular Formula | C26H23N3O3S |
|---|---|
| Molecular Weight | 457.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.14603 |
| Heavy Atoms | 33 |
| Complexity | 897.0 |
Chemical Identifiers
| CAS Number | 208848-41-3 |
|---|---|
| SMILES | CC(=O)N[C@H]1CCC2=CC3=NC4=CC=CC=C4N=C3C(=C2C5=CC=C(C(=O)C=C15)SC)OC |
| InChIKey | ISDVTNLHLWJWPY-SFHVURJKSA-N |
Product Overview
NCI60_036252 (CAS 208848-41-3), with molecular formula C26H23N3O3S and molecular weight 457.15 g/mol. IUPAC: N-[(22S)-13-methoxy-18-methylsulfanyl-19-oxo-4,11-diazapentacyclo[12.10.0.03,12.05,10.015,21]tetracosa-1,3,5,7,9,11,13,15,17,20-decaen-22-yl]acetamide.
Chemical Property Profile of NCI60_036252
Property Insights of NCI60_036252
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_036252. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_036252. Following Lipinski's Rule of Five, NCI60_036252 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
Frequently Asked Questions
What is the CAS number of NCI60_036252?
The CAS number of NCI60_036252 is 208848-41-3.
What is the molecular formula of NCI60_036252?
The molecular formula of NCI60_036252 is C26H23N3O3S.
What is the molecular weight of NCI60_036252?
The molecular weight of NCI60_036252 is 457.15 g/mol.
Where can I buy NCI60_036252?
You can request a quote for NCI60_036252 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_036252?
Yes, KEHONG BIO provides custom synthesis services for NCI60_036252 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.