CDS1_001968
TL;DR: CDS1_001968 (CAS 369392-25-6) is a chemical compound with molecular formula C21H20N2O2S and molecular weight 364.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-1-cyclopropylprop-2-en-1-one
Also Known As: CDS1_001968, (2E)-3-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-1-cyclopropylprop-2-en-1-one, (E)-3-(3-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-4-methoxyphenyl)-1-cyclopropylprop-2-en-1-one, (E)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-1-cyclopropylprop-2-en-1-one, (E)-3-{3-[(1H-1,3-BENZIMIDAZOL-2-YLSULFANYL)METHYL]-4-METHOXYPHENYL}-1-CYCLOPROPYL-2-PROPEN-1-ONE
| Molecular Formula | C21H20N2O2S |
|---|---|
| Molecular Weight | 364.12 g/mol |
| LogP | 4.8561 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.12454 |
| Heavy Atoms | 26 |
| Complexity | 940.05646 |
Chemical Identifiers
| CAS Number | 369392-25-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)C2CC2)CSC3=NC4=CC=CC=C4N3 |
Product Overview
CDS1_001968 (CAS 369392-25-6), with molecular formula C21H20N2O2S and molecular weight 364.12 g/mol. IUPAC: (E)-3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-1-cyclopropylprop-2-en-1-one.
Chemical Property Profile of CDS1_001968
Property Insights of CDS1_001968
The XLogP value of 4.8561 indicates that CDS1_001968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.98 Ų, CDS1_001968 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CDS1_001968 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CDS1_001968?
The CAS number of CDS1_001968 is 369392-25-6.
What is the molecular formula of CDS1_001968?
The molecular formula of CDS1_001968 is C21H20N2O2S.
What is the molecular weight of CDS1_001968?
The molecular weight of CDS1_001968 is 364.12 g/mol.
Where can I buy CDS1_001968?
You can request a quote for CDS1_001968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_001968?
Yes, KEHONG BIO provides custom synthesis services for CDS1_001968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.