NCI60_018176
TL;DR: NCI60_018176 (CAS 136402-94-3) is a chemical compound with molecular formula C36H46N2O6 and molecular weight 602.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,16-bis[(2-methoxynaphthalen-1-yl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
Also Known As: NCI60_018176, 7,16-Bis((2-methoxy-1-naphthyl)methyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane, 7,16-bis[(2-methoxynaphthalen-1-yl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane, 7,16-Bis[(2-methoxy-1-naphthalenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane, 7,16-bis[(2-methoxy-1-naphthyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
| Molecular Formula | C36H46N2O6 |
|---|---|
| Molecular Weight | 602.34 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 602.3356 |
| Heavy Atoms | 44 |
| Complexity | 693.0 |
Chemical Identifiers
| CAS Number | 136402-94-3 |
|---|---|
| SMILES | COC1=C(C2=CC=CC=C2C=C1)CN3CCOCCOCCN(CCOCCOCC3)CC4=C(C=CC5=CC=CC=C54)OC |
| InChIKey | GBWBQAOVOFAEPQ-UHFFFAOYSA-N |
Product Overview
NCI60_018176 (CAS 136402-94-3), with molecular formula C36H46N2O6 and molecular weight 602.34 g/mol. IUPAC: 7,16-bis[(2-methoxynaphthalen-1-yl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane.
Chemical Property Profile of NCI60_018176
Property Insights of NCI60_018176
The XLogP value of 4.9 indicates that NCI60_018176 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_018176. Following Lipinski's Rule of Five, NCI60_018176 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_018176?
The CAS number of NCI60_018176 is 136402-94-3.
What is the molecular formula of NCI60_018176?
The molecular formula of NCI60_018176 is C36H46N2O6.
What is the molecular weight of NCI60_018176?
The molecular weight of NCI60_018176 is 602.34 g/mol.
Where can I buy NCI60_018176?
You can request a quote for NCI60_018176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_018176?
Yes, KEHONG BIO provides custom synthesis services for NCI60_018176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.