BIM-0045072.P001
TL;DR: BIM-0045072.P001 (CAS 6089-47-0) is a chemical compound with molecular formula C16H10BrN3O6S2 and molecular weight 482.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-bromophenyl] 4-nitrobenzenesulfonate
Also Known As: BIM-0045072.P001, [4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-bromophenyl] 4-nitrobenzenesulfonate, 4-[(Z)-(2-Amino-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]-2-bromophenyl 4-nitrobenzene-1-sulfonate
| Molecular Formula | C16H10BrN3O6S2 |
|---|---|
| Molecular Weight | 482.92 g/mol |
| LogP | 3.054 |
| Topological Polar Surface Area | 141.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.91943 |
| Heavy Atoms | 28 |
| Complexity | 1143.4696 |
Chemical Identifiers
| CAS Number | 6089-47-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N=C(S3)N)Br |
Product Overview
BIM-0045072.P001 (CAS 6089-47-0), with molecular formula C16H10BrN3O6S2 and molecular weight 482.92 g/mol. IUPAC: [4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-bromophenyl] 4-nitrobenzenesulfonate.
Chemical Property Profile of BIM-0045072.P001
Property Insights of BIM-0045072.P001
The XLogP value of 3.054 indicates that BIM-0045072.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.96 Ų indicates high polarity, suggesting BIM-0045072.P001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BIM-0045072.P001 has 1 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-0045072.P001?
The CAS number of BIM-0045072.P001 is 6089-47-0.
What is the molecular formula of BIM-0045072.P001?
The molecular formula of BIM-0045072.P001 is C16H10BrN3O6S2.
What is the molecular weight of BIM-0045072.P001?
The molecular weight of BIM-0045072.P001 is 482.92 g/mol.
Where can I buy BIM-0045072.P001?
You can request a quote for BIM-0045072.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0045072.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0045072.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.