AB00668031-01
TL;DR: AB00668031-01 (CAS 476368-87-3) is a chemical compound with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclohexanecarbonylamino)-4-methylthiophene-3-carboxamide
Also Known As: AB00668031-01, F0526-2286, 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclohexanecarbonylamino)-4-methylthiophene-3-carboxamide, 5-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(cyclohexanecarboxamido)-4-methylthiophene-3-carboxamide, 5-[(2H-1,3-benzodioxol-5-yl)methyl]-2-cyclohexaneamido-4-methylthiophene-3-carboxamide
| Molecular Formula | C21H24N2O4S |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 3.99372 |
| Topological Polar Surface Area | 90.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1457 |
| Heavy Atoms | 28 |
| Complexity | 915.3697 |
Chemical Identifiers
| CAS Number | 476368-87-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)N)NC(=O)C2CCCCC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
AB00668031-01 (CAS 476368-87-3), with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclohexanecarbonylamino)-4-methylthiophene-3-carboxamide.
Chemical Property Profile of AB00668031-01
Property Insights of AB00668031-01
The XLogP value of 3.99372 indicates that AB00668031-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.65 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668031-01. Following Lipinski's Rule of Five, AB00668031-01 has 2 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 AB00668031-01?
The CAS number of AB00668031-01 is 476368-87-3.
What is the molecular formula of AB00668031-01?
The molecular formula of AB00668031-01 is C21H24N2O4S.
What is the molecular weight of AB00668031-01?
The molecular weight of AB00668031-01 is 400.15 g/mol.
Where can I buy AB00668031-01?
You can request a quote for AB00668031-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668031-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668031-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.