BAS 02899438
TL;DR: BAS 02899438 (CAS 333745-19-0) is a chemical compound with molecular formula C13H9ClN2O6 and molecular weight 324.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid
Also Known As: BAS 02899438, {2-chloro-4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetic acid, 2-[2-Chloro-4-[(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]phenoxy]acetic acid, [2-Chloro-4-(2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-phenoxy]-acetic, {2-Chloro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
| Molecular Formula | C13H9ClN2O6 |
|---|---|
| Molecular Weight | 324.01 g/mol |
| LogP | 0.5528 |
| Topological Polar Surface Area | 121.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.01492 |
| Heavy Atoms | 22 |
| Complexity | 690.48193 |
Chemical Identifiers
| CAS Number | 333745-19-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=C2C(=O)NC(=O)NC2=O)Cl)OCC(=O)O |
Product Overview
BAS 02899438 (CAS 333745-19-0), with molecular formula C13H9ClN2O6 and molecular weight 324.01 g/mol. IUPAC: 2-[2-chloro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid.
Chemical Property Profile of BAS 02899438
Property Insights of BAS 02899438
The XLogP value of 0.5528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02899438. The TPSA of 121.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02899438. Following Lipinski's Rule of Five, BAS 02899438 has 3 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 BAS 02899438?
The CAS number of BAS 02899438 is 333745-19-0.
What is the molecular formula of BAS 02899438?
The molecular formula of BAS 02899438 is C13H9ClN2O6.
What is the molecular weight of BAS 02899438?
The molecular weight of BAS 02899438 is 324.01 g/mol.
Where can I buy BAS 02899438?
You can request a quote for BAS 02899438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02899438?
Yes, KEHONG BIO provides custom synthesis services for BAS 02899438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.