AB00668021-01
TL;DR: AB00668021-01 (CAS 476367-80-3) is a chemical compound with molecular formula C19H12Cl2N2O3S2 and molecular weight 449.97 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]-2,5-dichlorothiophene-3-carboxamide
Also Known As: AB00668021-01, F0526-2178, N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-cyano-4-methylthiophen-2-yl}-2,5-dichlorothiophene-3-carboxamide, N-(5-(benzo[d][1,3]dioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl)-2,5-dichlorothiophene-3-carboxamide, N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-2,5-dichlorothiophene-3-carboxamide
| Molecular Formula | C19H12Cl2N2O3S2 |
|---|---|
| Molecular Weight | 449.97 g/mol |
| LogP | 5.8683 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.96664 |
| Heavy Atoms | 28 |
| Complexity | 1131.1353 |
Chemical Identifiers
| CAS Number | 476367-80-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=C(SC(=C2)Cl)Cl)CC3=CC4=C(C=C3)OCO4 |
Product Overview
AB00668021-01 (CAS 476367-80-3), with molecular formula C19H12Cl2N2O3S2 and molecular weight 449.97 g/mol. IUPAC: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-2,5-dichlorothiophene-3-carboxamide.
Chemical Property Profile of AB00668021-01
Property Insights of AB00668021-01
The XLogP value of 5.8683 indicates that AB00668021-01 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 AB00668021-01. Following Lipinski's Rule of Five, AB00668021-01 has 1 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 AB00668021-01?
The CAS number of AB00668021-01 is 476367-80-3.
What is the molecular formula of AB00668021-01?
The molecular formula of AB00668021-01 is C19H12Cl2N2O3S2.
What is the molecular weight of AB00668021-01?
The molecular weight of AB00668021-01 is 449.97 g/mol.
Where can I buy AB00668021-01?
You can request a quote for AB00668021-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668021-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668021-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.