RefChem:505150
TL;DR: RefChem:505150 (CAS 957-82-4) is a chemical compound with molecular formula C27H29Cl2N9O6 and molecular weight 645.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,6-bis(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile
Also Known As: 3-Pyridinecarbonitrile, 5-((4-((2,6-dichloro-4-nitrophenyl)azo)-2,5-dimethoxyphenyl)azo)-2,6-bis((2-methoxyethyl)amino)-4-methyl-, 3-Pyridinecarbonitrile, 5-(2-(4-(2-(2,6-dichloro-4-nitrophenyl)diazenyl)-2,5-dimethoxyphenyl)diazenyl)-2,6-bis((2-methoxyethyl)amino)-4-methyl-, 3-Pyridinecarbonitrile, 5-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-2,5-dimethoxyphenyl]azo]-2,6-bis[(2-methoxyethyl)amino]-4-methyl-, 5-[(e)-{4-[(e)-(2,6-dichloro-4-nitrophenyl)diazenyl]-2,5-dimethoxyphenyl}diazenyl]-2,6-bis[(2-methoxyethyl)amino]-4-methylpyridine-3-carbonitrile, 5-[[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,6-bis(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile
| Molecular Formula | C27H29Cl2N9O6 |
|---|---|
| Molecular Weight | 645.16 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 645.1618 |
| Heavy Atoms | 44 |
| Complexity | 989.0 |
Chemical Identifiers
| CAS Number | 957-82-4 |
|---|---|
| SMILES | CC1=C(C(=NC(=C1N=NC2=CC(=C(C=C2OC)N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl)OC)NCCOC)NCCOC)C#N |
| InChIKey | ISWMXLOQKPDJJE-UHFFFAOYSA-N |
Product Overview
RefChem:505150 (CAS 957-82-4), with molecular formula C27H29Cl2N9O6 and molecular weight 645.16 g/mol. IUPAC: 5-[[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,6-bis(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile.
Chemical Property Profile of RefChem:505150
Property Insights of RefChem:505150
The XLogP value of 6.4 indicates that RefChem:505150 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 193.0 Ų indicates high polarity, suggesting RefChem:505150 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:505150 has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:505150?
The CAS number of RefChem:505150 is 957-82-4.
What is the molecular formula of RefChem:505150?
The molecular formula of RefChem:505150 is C27H29Cl2N9O6.
What is the molecular weight of RefChem:505150?
The molecular weight of RefChem:505150 is 645.16 g/mol.
Where can I buy RefChem:505150?
You can request a quote for RefChem:505150 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505150?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505150 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.