NCI60_013654
TL;DR: NCI60_013654 (CAS 133180-95-7) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[di(propan-2-yl)carbamoyl]cubane-1-carboxylic acid
Also Known As: NCI60_013654, 4-((Diisopropylamino)carbonyl)-1-cubanecarboxylic acid, 4-(diisopropylcarbamoyl)cubane-1-carboxylic acid, 4-[di(propan-2-yl)carbamoyl]cubane-1-carboxylic acid, 4-[[Bis(1-methylethyl)amino]carbonyl]pentacyclo[4.2.0.02,5.03,8.04,7]octane-1-carboxylic acid
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 133180-95-7 |
|---|---|
| SMILES | CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C(=O)O |
| InChIKey | NVFUHHQMNIDEPB-UHFFFAOYSA-N |
Product Overview
NCI60_013654 (CAS 133180-95-7), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: 4-[di(propan-2-yl)carbamoyl]cubane-1-carboxylic acid.
Chemical Property Profile of NCI60_013654
Property Insights of NCI60_013654
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_013654. With a topological polar surface area (TPSA) of 57.6 Ų, NCI60_013654 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_013654 has 1 hydrogen bond donor(s) and 3 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_013654?
The CAS number of NCI60_013654 is 133180-95-7.
What is the molecular formula of NCI60_013654?
The molecular formula of NCI60_013654 is C16H21NO3.
What is the molecular weight of NCI60_013654?
The molecular weight of NCI60_013654 is 275.15 g/mol.
Where can I buy NCI60_013654?
You can request a quote for NCI60_013654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_013654?
Yes, KEHONG BIO provides custom synthesis services for NCI60_013654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.