BIM-0047533.P001
TL;DR: BIM-0047533.P001 (CAS 378770-24-2) is a chemical compound with molecular formula C23H19N5O6S and molecular weight 493.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethoxy-4-[(Z)-(2-ethyl-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 3-nitrobenzoate
Also Known As: BIM-0047533.P001, 2-ethoxy-4-[(Z)-(2-ethyl-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 3-nitrobenzoate, (Z)-2-ethoxy-4-((2-ethyl-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl 3-nitrobenzoate, [2-ethoxy-4-[(Z)-(2-ethyl-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 3-nitrobenzoate
| Molecular Formula | C23H19N5O6S |
|---|---|
| Molecular Weight | 493.11 g/mol |
| LogP | 4.24187 |
| Topological Polar Surface Area | 147.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.1056 |
| Heavy Atoms | 35 |
| Complexity | 1349.6622 |
Chemical Identifiers
| CAS Number | 378770-24-2 |
|---|---|
| SMILES | CCC1=NN2C(=N)/C(=C/C3=CC(=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OCC)/C(=O)N=C2S1 |
Product Overview
BIM-0047533.P001 (CAS 378770-24-2), with molecular formula C23H19N5O6S and molecular weight 493.11 g/mol. IUPAC: [2-ethoxy-4-[(Z)-(2-ethyl-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 3-nitrobenzoate.
Chemical Property Profile of BIM-0047533.P001
Property Insights of BIM-0047533.P001
The XLogP value of 4.24187 indicates that BIM-0047533.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.55 Ų indicates high polarity, suggesting BIM-0047533.P001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BIM-0047533.P001 has 1 hydrogen bond donor(s) and 9 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-0047533.P001?
The CAS number of BIM-0047533.P001 is 378770-24-2.
What is the molecular formula of BIM-0047533.P001?
The molecular formula of BIM-0047533.P001 is C23H19N5O6S.
What is the molecular weight of BIM-0047533.P001?
The molecular weight of BIM-0047533.P001 is 493.11 g/mol.
Where can I buy BIM-0047533.P001?
You can request a quote for BIM-0047533.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0047533.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0047533.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.