RefChem:545484
TL;DR: RefChem:545484 (CAS 65072-39-1) is a chemical compound with molecular formula C25H20N2O3S2 and molecular weight 460.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(5-amino-6-methylnaphthalen-2-yl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
Also Known As: 2-[4-(5-amino-6-methylnaphthalen-2-yl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid, 7-Benzothiazolesulfonic acid, 2-[4-(5-amino-6-methyl-2-naphthalenyl)phenyl]-6-methyl-, 2-[4- phenyl]-6-methylbenzothiazole-7-sulphonicacid, 2-(4-(5-Amino-6-methyl-2-naphthyl)phenyl)-6-methylbenzothiazole-7-sulphonic acid, 7-Benzothiazolesulfonic acid, 2-(4-(5-amino-6-methyl-2-naphthalenyl)phenyl)-6-methyl-
| Molecular Formula | C25H20N2O3S2 |
|---|---|
| Molecular Weight | 460.09 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 460.09152 |
| Heavy Atoms | 32 |
| Complexity | 764.0 |
Chemical Identifiers
| CAS Number | 65072-39-1 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C=C(C=C2)C3=CC=C(C=C3)C4=NC5=C(S4)C(=C(C=C5)C)S(=O)(=O)O)N |
| InChIKey | YQFLNILRSXUCDC-UHFFFAOYSA-N |
Product Overview
RefChem:545484 (CAS 65072-39-1), with molecular formula C25H20N2O3S2 and molecular weight 460.09 g/mol. IUPAC: 2-[4-(5-amino-6-methylnaphthalen-2-yl)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid.
Chemical Property Profile of RefChem:545484
Property Insights of RefChem:545484
The XLogP value of 5.7 indicates that RefChem:545484 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:545484. Following Lipinski's Rule of Five, RefChem:545484 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:545484?
The CAS number of RefChem:545484 is 65072-39-1.
What is the molecular formula of RefChem:545484?
The molecular formula of RefChem:545484 is C25H20N2O3S2.
What is the molecular weight of RefChem:545484?
The molecular weight of RefChem:545484 is 460.09 g/mol.
Where can I buy RefChem:545484?
You can request a quote for RefChem:545484 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:545484?
Yes, KEHONG BIO provides custom synthesis services for RefChem:545484 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.