RefChem:164737
TL;DR: RefChem:164737 (CAS 63148-83-4) is a chemical compound with molecular formula C25H24N2O3S2 and molecular weight 464.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-anilinobuta-1,3-dienyl)benzo[f][1,3]benzothiazol-3-ium-3-yl]butane-2-sulfonate
Also Known As: Naphtho(2,3-d)thiazolium, 2-(4-(phenylamino)-1,3-butadienyl)-3-(3-sulfobutyl)-, inner salt, Naphtho(2,3-d)thiazolium, 2-(4-(phenylamino)-1,3-butadien-1-yl)-3-(3-sulfobutyl)-, inner salt, 2-[4-(phenylamino)-1,3-butadienyl]-3-(3-sulphonatobutyl)naphtho[2,3-d]thiazolium, Naphtho[2,3-d]thiazolium, 2-[4-(phenylamino)-1,3-butadienyl]-3-(3-sulfobutyl)-, inner salt, 2-(4-(Phenylamino)-1,3-butadienyl)-3-(3-sulphonatobutyl)naphtho(2,3-d)thiazolium
| Molecular Formula | C25H24N2O3S2 |
|---|---|
| Molecular Weight | 464.12 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.12283 |
| Heavy Atoms | 32 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 63148-83-4 |
|---|---|
| SMILES | CC(CC[N+]1=C(SC2=CC3=CC=CC=C3C=C21)C=CC=CNC4=CC=CC=C4)S(=O)(=O)[O-] |
| InChIKey | DKXSAABHHCPLME-UHFFFAOYSA-N |
Product Overview
RefChem:164737 (CAS 63148-83-4), with molecular formula C25H24N2O3S2 and molecular weight 464.12 g/mol. IUPAC: 4-[2-(4-anilinobuta-1,3-dienyl)benzo[f][1,3]benzothiazol-3-ium-3-yl]butane-2-sulfonate.
Chemical Property Profile of RefChem:164737
Property Insights of RefChem:164737
The XLogP value of 5.6 indicates that RefChem:164737 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:164737. Following Lipinski's Rule of Five, RefChem:164737 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:164737?
The CAS number of RefChem:164737 is 63148-83-4.
What is the molecular formula of RefChem:164737?
The molecular formula of RefChem:164737 is C25H24N2O3S2.
What is the molecular weight of RefChem:164737?
The molecular weight of RefChem:164737 is 464.12 g/mol.
Where can I buy RefChem:164737?
You can request a quote for RefChem:164737 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:164737?
Yes, KEHONG BIO provides custom synthesis services for RefChem:164737 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.