RefChem:412831
TL;DR: RefChem:412831 (CAS 55772-47-9) is a chemical compound with molecular formula C29H40N8O8 and molecular weight 628.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;4-[[3-[(2,4-diamino-5-methylphenyl)diazenyl]-4-methylphenyl]diazenyl]-6-methylbenzene-1,3-diamine
Also Known As: EINECS 259-808-9, 1,3-Benzenediamine, 4,4'-((4-methyl-1,3-phenylene)bis(azo))bis(6-methyl-, acetate, 4,4'-((4-Methyl-1,3-phenylene)bis(azo))bis(6-methylbenzene-1,3-diammonium) acetate (1:4), 1,3-Benzenediamine, 4,4'-[(4-methyl-1,3-phenylene)bis(azo)]bis[6-methyl-, acetate, 1,3-Benzenediamine, 4,4'-[(4-methyl-1,3-phenylene) bis(azo)]bis[6-methyl-, acetate
| Molecular Formula | C29H40N8O8 |
|---|---|
| Molecular Weight | 628.30 g/mol |
| LogP | 6.13506 |
| Topological Polar Surface Area | 302.72 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 628.29694 |
| Heavy Atoms | 45 |
| Complexity | 1475.1553 |
Chemical Identifiers
| CAS Number | 55772-47-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=NC2=C(C=C(C(=C2)C)N)N)N=NC3=C(C=C(C(=C3)C)N)N.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O |
Product Overview
RefChem:412831 (CAS 55772-47-9), with molecular formula C29H40N8O8 and molecular weight 628.30 g/mol. IUPAC: acetic acid;4-[[3-[(2,4-diamino-5-methylphenyl)diazenyl]-4-methylphenyl]diazenyl]-6-methylbenzene-1,3-diamine.
Chemical Property Profile of RefChem:412831
Property Insights of RefChem:412831
The XLogP value of 6.13506 indicates that RefChem:412831 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 302.72 Ų indicates high polarity, suggesting RefChem:412831 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:412831 has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:412831?
The CAS number of RefChem:412831 is 55772-47-9.
What is the molecular formula of RefChem:412831?
The molecular formula of RefChem:412831 is C29H40N8O8.
What is the molecular weight of RefChem:412831?
The molecular weight of RefChem:412831 is 628.30 g/mol.
Where can I buy RefChem:412831?
You can request a quote for RefChem:412831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:412831?
Yes, KEHONG BIO provides custom synthesis services for RefChem:412831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.