BIM-0039761.P001
TL;DR: BIM-0039761.P001 (CAS 5982-77-4) is a chemical compound with molecular formula C21H17BrN2O7 and molecular weight 488.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetate
Also Known As: BIM-0039761.P001, METHYL 2-(4-{[(5E)-1-(4-BROMOPHENYL)-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE]METHYL}-2-METHOXYPHENOXY)ACETATE, METHYL 2-[4-[(E)-[1-(4-BROMOPHENYL)-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE]METHYL]-2-METHOXY-PHENOXY]ACETATE, methyl 2-[4-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetate
| Molecular Formula | C21H17BrN2O7 |
|---|---|
| Molecular Weight | 488.02 g/mol |
| LogP | 2.6759 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.0219 |
| Heavy Atoms | 31 |
| Complexity | 1079.6359 |
Chemical Identifiers
| CAS Number | 5982-77-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)OCC(=O)OC |
Product Overview
BIM-0039761.P001 (CAS 5982-77-4), with molecular formula C21H17BrN2O7 and molecular weight 488.02 g/mol. IUPAC: methyl 2-[4-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetate.
Chemical Property Profile of BIM-0039761.P001
Property Insights of BIM-0039761.P001
The XLogP value of 2.6759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0039761.P001. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039761.P001. Following Lipinski's Rule of Five, BIM-0039761.P001 has 1 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 BIM-0039761.P001?
The CAS number of BIM-0039761.P001 is 5982-77-4.
What is the molecular formula of BIM-0039761.P001?
The molecular formula of BIM-0039761.P001 is C21H17BrN2O7.
What is the molecular weight of BIM-0039761.P001?
The molecular weight of BIM-0039761.P001 is 488.02 g/mol.
Where can I buy BIM-0039761.P001?
You can request a quote for BIM-0039761.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039761.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039761.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.