BIM-0044630.P001
TL;DR: BIM-0044630.P001 (CAS 6086-95-9) is a chemical compound with molecular formula C17H11N3O8S and molecular weight 417.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate
Also Known As: BIM-0044630.P001, 4-[(2,4,6-Trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-nitrobenzene-1-sulfonate, [4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate, 4-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl 4-nitrobenzenesulfonate, 4-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-nitrobenzene-1-sulfonate
| Molecular Formula | C17H11N3O8S |
|---|---|
| Molecular Weight | 417.03 g/mol |
| LogP | 1.1119 |
| Topological Polar Surface Area | 161.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.02667 |
| Heavy Atoms | 29 |
| Complexity | 1130.1691 |
Chemical Identifiers
| CAS Number | 6086-95-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C2C(=O)NC(=O)NC2=O)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
BIM-0044630.P001 (CAS 6086-95-9), with molecular formula C17H11N3O8S and molecular weight 417.03 g/mol. IUPAC: [4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate.
Chemical Property Profile of BIM-0044630.P001
Property Insights of BIM-0044630.P001
The XLogP value of 1.1119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0044630.P001. The TPSA of 161.78 Ų indicates high polarity, suggesting BIM-0044630.P001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BIM-0044630.P001 has 2 hydrogen bond donor(s) and 8 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-0044630.P001?
The CAS number of BIM-0044630.P001 is 6086-95-9.
What is the molecular formula of BIM-0044630.P001?
The molecular formula of BIM-0044630.P001 is C17H11N3O8S.
What is the molecular weight of BIM-0044630.P001?
The molecular weight of BIM-0044630.P001 is 417.03 g/mol.
Where can I buy BIM-0044630.P001?
You can request a quote for BIM-0044630.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0044630.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0044630.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.