AB00677418-01
TL;DR: AB00677418-01 (CAS 888465-85-8) is a chemical compound with molecular formula C21H19ClN2O5 and molecular weight 414.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorobutanoylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide
Also Known As: AB00677418-01, F1883-1546, 3-(4-chlorobutanamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide, 3-(4-chlorobutanamido)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)benzofuran-2-carboxamide, 3-(4-chlorobutanoylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide
| Molecular Formula | C21H19ClN2O5 |
|---|---|
| Molecular Weight | 414.10 g/mol |
| LogP | 4.4138 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.09824 |
| Heavy Atoms | 29 |
| Complexity | 1062.4061 |
Chemical Identifiers
| CAS Number | 888465-85-8 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(C4=CC=CC=C4O3)NC(=O)CCCCl |
Product Overview
AB00677418-01 (CAS 888465-85-8), with molecular formula C21H19ClN2O5 and molecular weight 414.10 g/mol. IUPAC: 3-(4-chlorobutanoylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide.
Chemical Property Profile of AB00677418-01
Property Insights of AB00677418-01
The XLogP value of 4.4138 indicates that AB00677418-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00677418-01. Following Lipinski's Rule of Five, AB00677418-01 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 AB00677418-01?
The CAS number of AB00677418-01 is 888465-85-8.
What is the molecular formula of AB00677418-01?
The molecular formula of AB00677418-01 is C21H19ClN2O5.
What is the molecular weight of AB00677418-01?
The molecular weight of AB00677418-01 is 414.10 g/mol.
Where can I buy AB00677418-01?
You can request a quote for AB00677418-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00677418-01?
Yes, KEHONG BIO provides custom synthesis services for AB00677418-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.