AN-988/40984559
TL;DR: AN-988/40984559 (CAS 433249-90-2) is a chemical compound with molecular formula C21H19ClN2O4S and molecular weight 430.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-chloro-5-[(3-methyl-1-benzofuran-2-carbonyl)carbamothioylamino]benzoate
Also Known As: AN-988/40984559, propan-2-yl 2-chloro-5-[(3-methyl-1-benzofuran-2-carbonyl)carbamothioylamino]benzoate, isopropyl 2-chloro-5-(3-(3-methylbenzofuran-2-carbonyl)thioureido)benzoate, isopropyl 2-chloro-5-[({[(3-methyl-1-benzofuran-2-yl)carbonyl]amino}carbothioyl)amino]benzoate, propan-2-yl 2-chloro-5-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)benzoate
| Molecular Formula | C21H19ClN2O4S |
|---|---|
| Molecular Weight | 430.08 g/mol |
| LogP | 5.08662 |
| Topological Polar Surface Area | 80.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.0754 |
| Heavy Atoms | 29 |
| Complexity | 1107.2542 |
Chemical Identifiers
| CAS Number | 433249-90-2 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)OC(C)C |
Product Overview
AN-988/40984559 (CAS 433249-90-2), with molecular formula C21H19ClN2O4S and molecular weight 430.08 g/mol. IUPAC: propan-2-yl 2-chloro-5-[(3-methyl-1-benzofuran-2-carbonyl)carbamothioylamino]benzoate.
Chemical Property Profile of AN-988/40984559
Property Insights of AN-988/40984559
The XLogP value of 5.08662 indicates that AN-988/40984559 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/40984559. Following Lipinski's Rule of Five, AN-988/40984559 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-988/40984559?
The CAS number of AN-988/40984559 is 433249-90-2.
What is the molecular formula of AN-988/40984559?
The molecular formula of AN-988/40984559 is C21H19ClN2O4S.
What is the molecular weight of AN-988/40984559?
The molecular weight of AN-988/40984559 is 430.08 g/mol.
Where can I buy AN-988/40984559?
You can request a quote for AN-988/40984559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40984559?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40984559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.