AH-034/08461029
TL;DR: AH-034/08461029 (CAS 319429-78-2) is a chemical compound with molecular formula C22H18Cl3N3O3S and molecular weight 509.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]carbamothioylamino]benzoate
Also Known As: AH-034/08461029, methyl 4-[({[2,2,2-trichloro-1-(1-naphthoylamino)ethyl]amino}carbonothioyl)amino]benzoate, methyl 4-[[2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]carbamothioylamino]benzoate, methyl 4-(3-(1-(1-naphthamido)-2,2,2-trichloroethyl)thioureido)benzoate, ((TRICHLORO-((NAPHTHALENE-CARBONYL)-AMINO)-ET)-THIOUREIDO)-BENZOIC ACID ME ESTER
| Molecular Formula | C22H18Cl3N3O3S |
|---|---|
| Molecular Weight | 509.01 g/mol |
| LogP | 5.0391 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.01346 |
| Heavy Atoms | 32 |
| Complexity | 1145.1113 |
Chemical Identifiers
| CAS Number | 319429-78-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC3=CC=CC=C32 |
Product Overview
AH-034/08461029 (CAS 319429-78-2), with molecular formula C22H18Cl3N3O3S and molecular weight 509.01 g/mol. IUPAC: methyl 4-[[2,2,2-trichloro-1-(naphthalene-1-carbonylamino)ethyl]carbamothioylamino]benzoate.
Chemical Property Profile of AH-034/08461029
Property Insights of AH-034/08461029
The XLogP value of 5.0391 indicates that AH-034/08461029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for AH-034/08461029. Following Lipinski's Rule of Five, AH-034/08461029 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AH-034/08461029?
The CAS number of AH-034/08461029 is 319429-78-2.
What is the molecular formula of AH-034/08461029?
The molecular formula of AH-034/08461029 is C22H18Cl3N3O3S.
What is the molecular weight of AH-034/08461029?
The molecular weight of AH-034/08461029 is 509.01 g/mol.
Where can I buy AH-034/08461029?
You can request a quote for AH-034/08461029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-034/08461029?
Yes, KEHONG BIO provides custom synthesis services for AH-034/08461029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.