RefChem:476925
TL;DR: RefChem:476925 (CAS 71032-95-6) is a chemical compound with molecular formula C41H54N12O6S and molecular weight 842.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;7-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-2-sulfonic acid
Also Known As: 2-Naphthalenesulfonic acid, 7-((4,6-bis((3-(diethylamino)propyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-(phenylazo)phenyl)azo)-, monoacetate (salt), 7-((4,6-Bis((3-(diethylamino)propyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((p-(phenylazo)phenyl)azo)naphthalene-2-sulphonic acid, monoacetate, 2-Naphthalenesulfonic acid, 7-((4,6-bis((3-(diethylamino)propyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-(2-phenyldiazenyl)phenyl)diazenyl)-, acetate (1:1), 2-Naphthalenesulfonic acid, 7-[[4,6-bis[[3-(diethylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-(phenylazo)phenyl]azo]-, monoacetate (salt), acetic acid; (3Z)-7-[[4,6-bis(3-diethylaminopropylamino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-2-sulfonic acid
| Molecular Formula | C41H54N12O6S |
|---|---|
| Molecular Weight | 842.40 g/mol |
| LogP | 8.93 |
| Topological Polar Surface Area | 251.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 21 |
| Exact Mass | 842.401 |
| Heavy Atoms | 60 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 71032-95-6 |
|---|---|
| SMILES | CCN(CC)CCCNC1=NC(=NC(=N1)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=CC=C(C=C4)N=NC5=CC=CC=C5)S(=O)(=O)O)NCCCN(CC)CC.CC(=O)O |
| InChIKey | QOJOEFSUDMHIOC-UHFFFAOYSA-N |
Product Overview
RefChem:476925 (CAS 71032-95-6), with molecular formula C41H54N12O6S and molecular weight 842.40 g/mol. IUPAC: acetic acid;7-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-2-sulfonic acid.
Chemical Property Profile of RefChem:476925
Property Insights of RefChem:476925
The XLogP value of 8.93 indicates that RefChem:476925 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 251.0 Ų indicates high polarity, suggesting RefChem:476925 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:476925 has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:476925?
The CAS number of RefChem:476925 is 71032-95-6.
What is the molecular formula of RefChem:476925?
The molecular formula of RefChem:476925 is C41H54N12O6S.
What is the molecular weight of RefChem:476925?
The molecular weight of RefChem:476925 is 842.40 g/mol.
Where can I buy RefChem:476925?
You can request a quote for RefChem:476925 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:476925?
Yes, KEHONG BIO provides custom synthesis services for RefChem:476925 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.