C42H42N4O6
TL;DR: C42H42N4O6 (CAS 104712-07-4) is a chemical compound with molecular formula C42H42N4O6 and molecular weight 698.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-[(5-methyl-2-pyridinyl)iminomethyl]-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-[(5-methyl-2-pyridinyl)iminomethyl]-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol
| Molecular Formula | C42H42N4O6 |
|---|---|
| Molecular Weight | 698.31 g/mol |
| LogP | 9.66528 |
| Topological Polar Surface Area | 171.88 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 698.3104 |
| Heavy Atoms | 52 |
| Complexity | 2276.2896 |
Chemical Identifiers
| CAS Number | 104712-07-4 |
|---|---|
| SMILES | CC1=CN=C(C=C1)N=CC2=C(C(=C(C3=C2C(=C(C(=C3)C)C4=C(C5=C(C=C4C)C(=C(C(=C5C=NC6=NC=C(C=C6)C)O)O)C(C)C)O)O)C(C)C)O)O |
Product Overview
C42H42N4O6 (CAS 104712-07-4), with molecular formula C42H42N4O6 and molecular weight 698.31 g/mol. IUPAC: 3-methyl-8-[(5-methyl-2-pyridinyl)iminomethyl]-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-[(5-methyl-2-pyridinyl)iminomethyl]-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol.
Chemical Property Profile of C42H42N4O6
Property Insights of C42H42N4O6
The XLogP value of 9.66528 indicates that C42H42N4O6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.88 Ų indicates high polarity, suggesting C42H42N4O6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C42H42N4O6 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C42H42N4O6?
The CAS number of C42H42N4O6 is 104712-07-4.
What is the molecular formula of C42H42N4O6?
The molecular formula of C42H42N4O6 is C42H42N4O6.
What is the molecular weight of C42H42N4O6?
The molecular weight of C42H42N4O6 is 698.31 g/mol.
Where can I buy C42H42N4O6?
You can request a quote for C42H42N4O6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C42H42N4O6?
Yes, KEHONG BIO provides custom synthesis services for C42H42N4O6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.