RefChem:417415
TL;DR: RefChem:417415 (CAS 68834-08-2) is a chemical compound with molecular formula C18H17N3O9S3 and molecular weight 515.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(methanesulfonamido)-3-methoxyphenyl]diazenyl]naphthalene-1,5-disulfonic acid
Also Known As: 7-((4-Methylsulfonylamino-3-methoxyphenyl)azo)-1,5-naphthalenedisulfonic acid, 1,5-Naphthalenedisulfonic acid, 3-[[3-methoxy-4-[(methylsulfonyl)amino]phenyl]azo]-, 1,5-Naphthalenedisulfonic acid, 3-((3-methoxy-4-((methylsulfonyl)amino)phenyl)azo)-, 1,5-Naphthalenedisulfonic acid, 3-(2-(3-methoxy-4-((methylsulfonyl)amino)phenyl)diazenyl)-, 3-[[3-methoxy-4-[ amino]phenyl]azo]naphthalene-1,5-disulphonicacid
| Molecular Formula | C18H17N3O9S3 |
|---|---|
| Molecular Weight | 515.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.0127 |
| Heavy Atoms | 33 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 68834-08-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)N=NC2=CC3=C(C=CC=C3S(=O)(=O)O)C(=C2)S(=O)(=O)O)NS(=O)(=O)C |
| InChIKey | ROWHQOFXHWIFGG-UHFFFAOYSA-N |
Product Overview
RefChem:417415 (CAS 68834-08-2), with molecular formula C18H17N3O9S3 and molecular weight 515.01 g/mol. IUPAC: 3-[[4-(methanesulfonamido)-3-methoxyphenyl]diazenyl]naphthalene-1,5-disulfonic acid.
Chemical Property Profile of RefChem:417415
Property Insights of RefChem:417415
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:417415. The TPSA of 214.0 Ų indicates high polarity, suggesting RefChem:417415 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:417415 has 3 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:417415?
The CAS number of RefChem:417415 is 68834-08-2.
What is the molecular formula of RefChem:417415?
The molecular formula of RefChem:417415 is C18H17N3O9S3.
What is the molecular weight of RefChem:417415?
The molecular weight of RefChem:417415 is 515.01 g/mol.
Where can I buy RefChem:417415?
You can request a quote for RefChem:417415 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:417415?
Yes, KEHONG BIO provides custom synthesis services for RefChem:417415 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.