DR 3438
TL;DR: DR 3438 (CAS 112953-47-6) is a chemical compound with molecular formula C18H13ClO5 and molecular weight 344.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-chloro-3-(2-methylphenyl)-4-oxochromen-7-yl]oxyacetic acid
Also Known As: 2-[5-chloro-3-(2-methylphenyl)-4-oxochromen-7-yl]oxyacetic acid, ((5-Chloro-3-(2-methylphenol)-4-oxo-4H-1-benzopyran-7-yl)oxy)acetic acid, {[5-chloro-3-(2-methylphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetic acid, Acetic acid, ((5-chloro-3-(2-methylphenyl)-4-oxo-4H-1-benzopyran-7-yl)oxy)-, [[5-Chloro-3-(2-methylphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]acetic acid
| Molecular Formula | C18H13ClO5 |
|---|---|
| Molecular Weight | 344.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.04517 |
| Heavy Atoms | 24 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 112953-47-6 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=COC3=C(C2=O)C(=CC(=C3)OCC(=O)O)Cl |
| InChIKey | POJPNUILSOANLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DR 3438 (CAS 112953-47-6), with molecular formula C18H13ClO5 and molecular weight 344.05 g/mol. IUPAC: 2-[5-chloro-3-(2-methylphenyl)-4-oxochromen-7-yl]oxyacetic acid.
Chemical Property Profile of DR 3438
Property Insights of DR 3438
The XLogP value of 3.7 indicates that DR 3438 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for DR 3438. Following Lipinski's Rule of Five, DR 3438 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 DR 3438?
The CAS number of DR 3438 is 112953-47-6.
What is the molecular formula of DR 3438?
The molecular formula of DR 3438 is C18H13ClO5.
What is the molecular weight of DR 3438?
The molecular weight of DR 3438 is 344.05 g/mol.
Where can I buy DR 3438?
You can request a quote for DR 3438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DR 3438?
Yes, KEHONG BIO provides custom synthesis services for DR 3438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.