ChemDiv1_005902
TL;DR: ChemDiv1_005902 (CAS 381187-55-9) is a chemical compound with molecular formula C18H19BrN2O7 and molecular weight 454.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-bromo-4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenoxy]acetate
Also Known As: ChemDiv1_005902, A2339/0098730, F0911-2285, ethyl 2-(2-bromo-4-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-6-methoxyphenoxy)acetate, ethyl 2-[2-bromo-4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenoxy]acetate
| Molecular Formula | C18H19BrN2O7 |
|---|---|
| Molecular Weight | 454.04 g/mol |
| LogP | 1.8334 |
| Topological Polar Surface Area | 102.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.03757 |
| Heavy Atoms | 28 |
| Complexity | 839.7352 |
Chemical Identifiers
| CAS Number | 381187-55-9 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1Br)C=C2C(=O)N(C(=O)N(C2=O)C)C)OC |
Product Overview
ChemDiv1_005902 (CAS 381187-55-9), with molecular formula C18H19BrN2O7 and molecular weight 454.04 g/mol. IUPAC: ethyl 2-[2-bromo-4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenoxy]acetate.
Chemical Property Profile of ChemDiv1_005902
Property Insights of ChemDiv1_005902
The XLogP value of 1.8334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005902. The TPSA of 102.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005902. Following Lipinski's Rule of Five, ChemDiv1_005902 has 0 hydrogen bond donor(s) and 7 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 ChemDiv1_005902?
The CAS number of ChemDiv1_005902 is 381187-55-9.
What is the molecular formula of ChemDiv1_005902?
The molecular formula of ChemDiv1_005902 is C18H19BrN2O7.
What is the molecular weight of ChemDiv1_005902?
The molecular weight of ChemDiv1_005902 is 454.04 g/mol.
Where can I buy ChemDiv1_005902?
You can request a quote for ChemDiv1_005902 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005902?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005902 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.