AB00122736-01
TL;DR: AB00122736-01 (CAS 346580-35-6) 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-(4-ethoxyphenyl)-2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide
Also Known As: AB00122736-01, N-(4-ethoxyphenyl)-2-{[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl}propanamide, N-(4-ethoxyphenyl)-2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide, N-(4-ethoxyphenyl)-2-((6-propionamidobenzo[d]thiazol-2-yl)thio)propanamide, N-(4-ethoxyphenyl)-2-[6-(propanoylamino)benzothiazol-2-yl]sulfanyl-propanamide
| Molecular Formula | C21H23N3O3S2 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 5.1628 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.11807 |
| Heavy Atoms | 29 |
| Complexity | 1002.0789 |
Chemical Identifiers
| CAS Number | 346580-35-6 |
|---|---|
| SMILES | CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SC(C)C(=O)NC3=CC=C(C=C3)OCC |
Product Overview
AB00122736-01 (CAS 346580-35-6), with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol. IUPAC: N-(4-ethoxyphenyl)-2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]propanamide.
Chemical Property Profile of AB00122736-01
Property Insights of AB00122736-01
The XLogP value of 5.1628 indicates that AB00122736-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00122736-01. Following Lipinski's Rule of Five, AB00122736-01 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00122736-01?
The CAS number of AB00122736-01 is 346580-35-6.
What is the molecular formula of AB00122736-01?
The molecular formula of AB00122736-01 is C21H23N3O3S2.
What is the molecular weight of AB00122736-01?
The molecular weight of AB00122736-01 is 429.12 g/mol.
Where can I buy AB00122736-01?
You can request a quote for AB00122736-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00122736-01?
Yes, KEHONG BIO provides custom synthesis services for AB00122736-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.