SID:53789077
TL;DR: SID:53789077 (CAS 229961-45-9) is a chemical compound with molecular formula C28H24O2S and molecular weight 424.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[4-(4-ethylphenyl)-2,2-dimethylthiochromen-6-yl]ethynyl]benzoic acid
Also Known As: SID:53789077, APELIN-12 (HUMAN,BOVINE,MOUSE,RAT), J2.926.698K, 4-((4-(4-ethylphenyl)-2,2-dimethyl-2H-thiochromen-6-yl)ethynyl)benzoic acid, BRD-K70262971-001-01-9
| Molecular Formula | C28H24O2S |
|---|---|
| Molecular Weight | 424.15 g/mol |
| LogP | 6.663 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.1497 |
| Heavy Atoms | 31 |
| Complexity | 1220.7444 |
Chemical Identifiers
| CAS Number | 229961-45-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2=CC(SC3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C |
Product Overview
SID:53789077 (CAS 229961-45-9), with molecular formula C28H24O2S and molecular weight 424.15 g/mol. IUPAC: 4-[2-[4-(4-ethylphenyl)-2,2-dimethylthiochromen-6-yl]ethynyl]benzoic acid.
Chemical Property Profile of SID:53789077
Property Insights of SID:53789077
The XLogP value of 6.663 indicates that SID:53789077 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, SID:53789077 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SID:53789077 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SID:53789077?
The CAS number of SID:53789077 is 229961-45-9.
What is the molecular formula of SID:53789077?
The molecular formula of SID:53789077 is C28H24O2S.
What is the molecular weight of SID:53789077?
The molecular weight of SID:53789077 is 424.15 g/mol.
Where can I buy SID:53789077?
You can request a quote for SID:53789077 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SID:53789077?
Yes, KEHONG BIO provides custom synthesis services for SID:53789077 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.