Glossypol PhNCH deriv.
TL;DR: Glossypol PhNCH deriv. (CAS 6952-36-9) is a chemical compound with molecular formula C42H40N2O6 and molecular weight 668.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(phenyliminomethyl)-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-(phenyliminomethyl)-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol
Also Known As: Glossypol PhNCH deriv., NCI60_018444, (1Z)-1-(anilinomethylidene)-7-[(8Z)-8-(anilinomethylidene)-1, [2,2'-Binaphthalene]-1,1',6,6',7,7'-hexol, 3,3'-dimethyl-5,5'-bis(1-methylethyl)-8,8'-bis[(E)-(phenylimino)methyl]-, 1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-8,8'-bis(phenyliminomethyl)-[2,2'-binaphthalene]
| Molecular Formula | C42H40N2O6 |
|---|---|
| Molecular Weight | 668.29 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 668.28864 |
| Heavy Atoms | 50 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 6952-36-9 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NC3=CC=CC=C3)C(=C1C4=C(C5=C(C=C4C)C(=C(C(=C5C=NC6=CC=CC=C6)O)O)C(C)C)O)O |
| InChIKey | KTLRJQOAHAQTEQ-UHFFFAOYSA-N |
Product Overview
Glossypol PhNCH deriv. (CAS 6952-36-9), with molecular formula C42H40N2O6 and molecular weight 668.29 g/mol. IUPAC: 3-methyl-8-(phenyliminomethyl)-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-(phenyliminomethyl)-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol.
Chemical Property Profile of Glossypol PhNCH deriv.
Property Insights of Glossypol PhNCH deriv.
The XLogP value of 9.5 indicates that Glossypol PhNCH deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting Glossypol PhNCH deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glossypol PhNCH deriv. has 6 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 Glossypol PhNCH deriv.?
The CAS number of Glossypol PhNCH deriv. is 6952-36-9.
What is the molecular formula of Glossypol PhNCH deriv.?
The molecular formula of Glossypol PhNCH deriv. is C42H40N2O6.
What is the molecular weight of Glossypol PhNCH deriv.?
The molecular weight of Glossypol PhNCH deriv. is 668.29 g/mol.
Where can I buy Glossypol PhNCH deriv.?
You can request a quote for Glossypol PhNCH deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glossypol PhNCH deriv.?
Yes, KEHONG BIO provides custom synthesis services for Glossypol PhNCH deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.