A1868/0078580
TL;DR: A1868/0078580 (CAS 5801-78-5) is a chemical compound with molecular formula C25H17IN2OS2 and molecular weight 551.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-[(4-iodophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]iminomethyl]naphthalen-2-ol
Also Known As: A1868/0078580, 1-{[(2-{[(4-Iodophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)amino]methylidene}naphthalen-2(1H)-one, 1-[({2-[(4-iodobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}imino)methyl]-2-naphthol, 1-[(E)-({2-[(4-iodobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}imino)methyl]naphthalen-2-ol, (1E)-1-[[[2-[(4-iodophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]methylidene]naphthalen-2-one
| Molecular Formula | C25H17IN2OS2 |
|---|---|
| Molecular Weight | 551.98 g/mol |
| LogP | 7.8026 |
| Topological Polar Surface Area | 45.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 551.9827 |
| Heavy Atoms | 31 |
| Complexity | 1410.789 |
Chemical Identifiers
| CAS Number | 5801-78-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)I)O |
Product Overview
A1868/0078580 (CAS 5801-78-5), with molecular formula C25H17IN2OS2 and molecular weight 551.98 g/mol. IUPAC: 1-[[2-[(4-iodophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]iminomethyl]naphthalen-2-ol.
Chemical Property Profile of A1868/0078580
Property Insights of A1868/0078580
The XLogP value of 7.8026 indicates that A1868/0078580 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.48 Ų, A1868/0078580 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1868/0078580 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 A1868/0078580?
The CAS number of A1868/0078580 is 5801-78-5.
What is the molecular formula of A1868/0078580?
The molecular formula of A1868/0078580 is C25H17IN2OS2.
What is the molecular weight of A1868/0078580?
The molecular weight of A1868/0078580 is 551.98 g/mol.
Where can I buy A1868/0078580?
You can request a quote for A1868/0078580 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1868/0078580?
Yes, KEHONG BIO provides custom synthesis services for A1868/0078580 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.