AB00684431-01
TL;DR: AB00684431-01 (CAS 533866-85-2) is a chemical compound with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]thiophene-2-carboxamide
Also Known As: AB00684431-01, F0554-0928, N-[2-(3-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]thiophene-2-carboxamide, N-(2-(3-((2-morpholino-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)thiophene-2-carboxamide, N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]thiophene-2-carboxamide
| Molecular Formula | C21H23N3O3S2 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 3.0837 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.11807 |
| Heavy Atoms | 29 |
| Complexity | 978.3959 |
Chemical Identifiers
| CAS Number | 533866-85-2 |
|---|---|
| SMILES | C1COCCN1C(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CS4 |
Product Overview
AB00684431-01 (CAS 533866-85-2), with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol. IUPAC: N-[2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfanylindol-1-yl]ethyl]thiophene-2-carboxamide.
Chemical Property Profile of AB00684431-01
Property Insights of AB00684431-01
The XLogP value of 3.0837 indicates that AB00684431-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684431-01. Following Lipinski's Rule of Five, AB00684431-01 has 1 hydrogen bond donor(s) and 5 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 AB00684431-01?
The CAS number of AB00684431-01 is 533866-85-2.
What is the molecular formula of AB00684431-01?
The molecular formula of AB00684431-01 is C21H23N3O3S2.
What is the molecular weight of AB00684431-01?
The molecular weight of AB00684431-01 is 429.12 g/mol.
Where can I buy AB00684431-01?
You can request a quote for AB00684431-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684431-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684431-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.