AB00682422-01
TL;DR: AB00682422-01 (CAS 632290-05-2) is a chemical compound with molecular formula C19H19BrN2O2S and molecular weight 418.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromophenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
Also Known As: AB00682422-01, F3099-0547, 2-(3-bromophenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide, 2-(3-bromophenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide, N-(3-cyano-6-methyl-1-thia-4,5,6,7-tetrahydro-2-indenyl)2-(m-bromophenoxy)propionamide
| Molecular Formula | C19H19BrN2O2S |
|---|---|
| Molecular Weight | 418.04 g/mol |
| LogP | 4.91308 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.03506 |
| Heavy Atoms | 25 |
| Complexity | 840.435 |
Chemical Identifiers
| CAS Number | 632290-05-2 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)OC3=CC(=CC=C3)Br |
Product Overview
AB00682422-01 (CAS 632290-05-2), with molecular formula C19H19BrN2O2S and molecular weight 418.04 g/mol. IUPAC: 2-(3-bromophenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide.
Chemical Property Profile of AB00682422-01
Property Insights of AB00682422-01
The XLogP value of 4.91308 indicates that AB00682422-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00682422-01. Following Lipinski's Rule of Five, AB00682422-01 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 AB00682422-01?
The CAS number of AB00682422-01 is 632290-05-2.
What is the molecular formula of AB00682422-01?
The molecular formula of AB00682422-01 is C19H19BrN2O2S.
What is the molecular weight of AB00682422-01?
The molecular weight of AB00682422-01 is 418.04 g/mol.
Where can I buy AB00682422-01?
You can request a quote for AB00682422-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00682422-01?
Yes, KEHONG BIO provides custom synthesis services for AB00682422-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.