ChemDiv2_000812
TL;DR: ChemDiv2_000812 (CAS 308298-90-0) is a chemical compound with molecular formula C22H26ClN5O2S2 and molecular weight 491.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide
Also Known As: ChemDiv2_000812, UPCMLD0ENAT0505-0761:001, 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide, AF-399/40634586, 2-((4-allyl-5-(3-chlorobenzo[b]thiophen-2-yl)-4H-1
| Molecular Formula | C22H26ClN5O2S2 |
|---|---|
| Molecular Weight | 491.12 g/mol |
| LogP | 3.9298 |
| Topological Polar Surface Area | 72.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 491.12164 |
| Heavy Atoms | 32 |
| Complexity | 1077.6458 |
Chemical Identifiers
| CAS Number | 308298-90-0 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NCCCN2CCOCC2)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
ChemDiv2_000812 (CAS 308298-90-0), with molecular formula C22H26ClN5O2S2 and molecular weight 491.12 g/mol. IUPAC: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide.
Chemical Property Profile of ChemDiv2_000812
Property Insights of ChemDiv2_000812
The XLogP value of 3.9298 indicates that ChemDiv2_000812 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_000812. Following Lipinski's Rule of Five, ChemDiv2_000812 has 1 hydrogen bond donor(s) and 7 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 ChemDiv2_000812?
The CAS number of ChemDiv2_000812 is 308298-90-0.
What is the molecular formula of ChemDiv2_000812?
The molecular formula of ChemDiv2_000812 is C22H26ClN5O2S2.
What is the molecular weight of ChemDiv2_000812?
The molecular weight of ChemDiv2_000812 is 491.12 g/mol.
Where can I buy ChemDiv2_000812?
You can request a quote for ChemDiv2_000812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_000812?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_000812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.