AB00979389-01
TL;DR: AB00979389-01 (CAS 312946-46-6) is a chemical compound with molecular formula C25H23ClN2O2S and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(3-chloro-1-benzothiophen-2-yl)-3-[(2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol
Also Known As: AB00979389-01, 2,2'-((2-(3-chlorobenzo[b]thiophen-2-yl)imidazolidine-1,3-diyl)bis(methylene))diphenol, 2,2'-{[2-(3-chloro-1-benzothiophen-2-yl)imidazolidine-1,3-diyl]dimethanediyl}diphenol, 2-[[2-(3-chloro-1-benzothiophen-2-yl)-3-[(2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol, 2-[[2-(3-chlorobenzothiophen-2-yl)-3-[(2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol
| Molecular Formula | C25H23ClN2O2S |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 5.9825 |
| Topological Polar Surface Area | 46.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.11688 |
| Heavy Atoms | 31 |
| Complexity | 1169.609 |
Chemical Identifiers
| CAS Number | 312946-46-6 |
|---|---|
| SMILES | C1CN(C(N1CC2=CC=CC=C2O)C3=C(C4=CC=CC=C4S3)Cl)CC5=CC=CC=C5O |
Product Overview
AB00979389-01 (CAS 312946-46-6), with molecular formula C25H23ClN2O2S and molecular weight 450.12 g/mol. IUPAC: 2-[[2-(3-chloro-1-benzothiophen-2-yl)-3-[(2-hydroxyphenyl)methyl]imidazolidin-1-yl]methyl]phenol.
Chemical Property Profile of AB00979389-01
Property Insights of AB00979389-01
The XLogP value of 5.9825 indicates that AB00979389-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.94 Ų, AB00979389-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00979389-01 has 2 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 AB00979389-01?
The CAS number of AB00979389-01 is 312946-46-6.
What is the molecular formula of AB00979389-01?
The molecular formula of AB00979389-01 is C25H23ClN2O2S.
What is the molecular weight of AB00979389-01?
The molecular weight of AB00979389-01 is 450.12 g/mol.
Where can I buy AB00979389-01?
You can request a quote for AB00979389-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00979389-01?
Yes, KEHONG BIO provides custom synthesis services for AB00979389-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.