NCI60_002171
TL;DR: NCI60_002171 (CAS 67642-36-8) is a chemical compound with molecular formula C29H49N7O5 and molecular weight 575.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[[4,5-dihydroxy-2-methyl-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadecanamide
Also Known As: NCI60_002171, 4,6-DIDEOXY-4-[[[(14-METHYL-1-OXOPENTADECYL)AMINO]ACETYL]AMINO]-N-1H-PURIN-6-YL-.BETA.-L-GLUCOPYRANOSYLAMINE, .beta.-L-Glucopyranosylamine,6-dideoxy-4-[[[(14-methyl-1-oxopentadecyl)amino]acetyl]amino]-N-1H-purin-6-yl-, 4,6-Dideoxy-4-[[[(14-methyl-1-oxopentadecyl)amino]acetyl]amino]-N-1H-purin-6-YL-beta-L-glucopyranosylamine, 4,6-Dideoxy-4-{[N-(14-methylpentadecanoyl)glycyl]amino}-N-(7H-purin-6-yl)hexopyranosylamine
| Molecular Formula | C29H49N7O5 |
|---|---|
| Molecular Weight | 575.38 g/mol |
| LogP | 3.1696 |
| Topological Polar Surface Area | 174.38 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 575.3795 |
| Heavy Atoms | 41 |
| Complexity | 1065.1049 |
Chemical Identifiers
| CAS Number | 67642-36-8 |
|---|---|
| SMILES | CC1C(C(C(C(O1)NC2=NC=NC3=C2NC=N3)O)O)NC(=O)CNC(=O)CCCCCCCCCCCCC(C)C |
Product Overview
NCI60_002171 (CAS 67642-36-8), with molecular formula C29H49N7O5 and molecular weight 575.38 g/mol. IUPAC: N-[2-[[4,5-dihydroxy-2-methyl-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadecanamide.
Chemical Property Profile of NCI60_002171
Property Insights of NCI60_002171
The XLogP value of 3.1696 indicates that NCI60_002171 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.38 Ų indicates high polarity, suggesting NCI60_002171 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_002171 has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_002171?
The CAS number of NCI60_002171 is 67642-36-8.
What is the molecular formula of NCI60_002171?
The molecular formula of NCI60_002171 is C29H49N7O5.
What is the molecular weight of NCI60_002171?
The molecular weight of NCI60_002171 is 575.38 g/mol.
Where can I buy NCI60_002171?
You can request a quote for NCI60_002171 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_002171?
Yes, KEHONG BIO provides custom synthesis services for NCI60_002171 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.