AB00101608-01
TL;DR: AB00101608-01 (CAS 347386-21-4) is a chemical compound with molecular formula C20H14BrFN2O6 and molecular weight 476.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-bromo-4-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate
Also Known As: AB00101608-01, methyl (2-bromo-4-{(E)-[1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate, (E)-methyl 2-(2-bromo-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetate, methyl 2-[2-bromo-4-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate
| Molecular Formula | C20H14BrFN2O6 |
|---|---|
| Molecular Weight | 476.00 g/mol |
| LogP | 2.8064 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.00192 |
| Heavy Atoms | 30 |
| Complexity | 1067.4664 |
Chemical Identifiers
| CAS Number | 347386-21-4 |
|---|---|
| SMILES | COC(=O)COC1=C(C=C(C=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)F)Br |
Product Overview
AB00101608-01 (CAS 347386-21-4), with molecular formula C20H14BrFN2O6 and molecular weight 476.00 g/mol. IUPAC: methyl 2-[2-bromo-4-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate.
Chemical Property Profile of AB00101608-01
Property Insights of AB00101608-01
The XLogP value of 2.8064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00101608-01. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00101608-01. Following Lipinski's Rule of Five, AB00101608-01 has 1 hydrogen bond donor(s) and 6 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 AB00101608-01?
The CAS number of AB00101608-01 is 347386-21-4.
What is the molecular formula of AB00101608-01?
The molecular formula of AB00101608-01 is C20H14BrFN2O6.
What is the molecular weight of AB00101608-01?
The molecular weight of AB00101608-01 is 476.00 g/mol.
Where can I buy AB00101608-01?
You can request a quote for AB00101608-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00101608-01?
Yes, KEHONG BIO provides custom synthesis services for AB00101608-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.