AB00114655-01
TL;DR: AB00114655-01 (CAS 370843-71-3) is a chemical compound with molecular formula C17H18ClNO4 and molecular weight 335.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chloro-2-methylanilino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Also Known As: AB00114655-01, F1155-0437, 3-{[(3-chloro-2-methylphenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione, 3-(((3-chloro-2-methylphenyl)amino)methylene)-1,5-dioxaspiro[5.5]undecane-2,4-dione, 3-[(3-chloro-2-toluidino)methylene]-1,5-dioxa-2,4-spiro[5.5]undecanedione
| Molecular Formula | C17H18ClNO4 |
|---|---|
| Molecular Weight | 335.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.09244 |
| Heavy Atoms | 23 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 370843-71-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC=C2C(=O)OC3(CCCCC3)OC2=O |
| InChIKey | DKISGOPDGLKRPG-UHFFFAOYSA-N |
Product Overview
AB00114655-01 (CAS 370843-71-3), with molecular formula C17H18ClNO4 and molecular weight 335.09 g/mol. IUPAC: 3-[(3-chloro-2-methylanilino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione.
Chemical Property Profile of AB00114655-01
Property Insights of AB00114655-01
The XLogP value of 4.5 indicates that AB00114655-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114655-01. Following Lipinski's Rule of Five, AB00114655-01 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 AB00114655-01?
The CAS number of AB00114655-01 is 370843-71-3.
What is the molecular formula of AB00114655-01?
The molecular formula of AB00114655-01 is C17H18ClNO4.
What is the molecular weight of AB00114655-01?
The molecular weight of AB00114655-01 is 335.09 g/mol.
Where can I buy AB00114655-01?
You can request a quote for AB00114655-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114655-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114655-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.