AB00684378-01
TL;DR: AB00684378-01 (CAS 476367-92-7) is a chemical compound with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]cyclohexanecarboxamide
Also Known As: AB00684378-01, F0526-2190, N-(5-(benzo[d][1,3]dioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl)cyclohexanecarboxamide, N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-cyano-4-methylthiophen-2-yl}cyclohexanecarboxamide, N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]cyclohexanecarboxamide
| Molecular Formula | C21H22N2O3S |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 4.7665 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.1351 |
| Heavy Atoms | 27 |
| Complexity | 906.88104 |
Chemical Identifiers
| CAS Number | 476367-92-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2CCCCC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
AB00684378-01 (CAS 476367-92-7), with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol. IUPAC: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]cyclohexanecarboxamide.
Chemical Property Profile of AB00684378-01
Property Insights of AB00684378-01
The XLogP value of 4.7665 indicates that AB00684378-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684378-01. Following Lipinski's Rule of Five, AB00684378-01 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 AB00684378-01?
The CAS number of AB00684378-01 is 476367-92-7.
What is the molecular formula of AB00684378-01?
The molecular formula of AB00684378-01 is C21H22N2O3S.
What is the molecular weight of AB00684378-01?
The molecular weight of AB00684378-01 is 382.14 g/mol.
Where can I buy AB00684378-01?
You can request a quote for AB00684378-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684378-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684378-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.