CAS 5617-94-7 - C23H19ClN6O2S
TL;DR: CAS 5617-94-7 - C23H19ClN6O2S (CAS 5617-94-7) is a chemical compound with molecular formula C23H19ClN6O2S and molecular weight 478.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-4-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile
| Molecular Formula | C23H19ClN6O2S |
|---|---|
| Molecular Weight | 478.10 g/mol |
| LogP | 5.30668 |
| Topological Polar Surface Area | 112.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 478.09787 |
| Heavy Atoms | 33 |
| Complexity | 1352.1184 |
Chemical Identifiers
| CAS Number | 5617-94-7 |
|---|---|
| SMILES | C1CC1N2C(=NN=C2SCC(=C(C#N)C3=NC4=CC=CC=C4N3)O)COC5=CC=CC=C5Cl |
Product Overview
CAS 5617-94-7 - C23H19ClN6O2S (CAS 5617-94-7), with molecular formula C23H19ClN6O2S and molecular weight 478.10 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-4-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-3-hydroxybut-2-enenitrile.
Chemical Property Profile of CAS 5617-94-7 - C23H19ClN6O2S
Property Insights of CAS 5617-94-7 - C23H19ClN6O2S
The XLogP value of 5.30668 indicates that CAS 5617-94-7 - C23H19ClN6O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.64 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 5617-94-7 - C23H19ClN6O2S. Following Lipinski's Rule of Five, CAS 5617-94-7 - C23H19ClN6O2S has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 5617-94-7 - C23H19ClN6O2S?
The CAS number of CAS 5617-94-7 - C23H19ClN6O2S is 5617-94-7.
What is the molecular formula of CAS 5617-94-7 - C23H19ClN6O2S?
The molecular formula of CAS 5617-94-7 - C23H19ClN6O2S is C23H19ClN6O2S.
What is the molecular weight of CAS 5617-94-7 - C23H19ClN6O2S?
The molecular weight of CAS 5617-94-7 - C23H19ClN6O2S is 478.10 g/mol.
Where can I buy CAS 5617-94-7 - C23H19ClN6O2S?
You can request a quote for CAS 5617-94-7 - C23H19ClN6O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 5617-94-7 - C23H19ClN6O2S?
Yes, KEHONG BIO provides custom synthesis services for CAS 5617-94-7 - C23H19ClN6O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.