BIM-0044831.P001
TL;DR: BIM-0044831.P001 (CAS 6084-65-7) is a chemical compound with molecular formula C17H13NO4S3 and molecular weight 391.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate
Also Known As: BIM-0044831.P001, [3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate, 3-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzenesulfonate, 3-[(Z)-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C17H13NO4S3 |
|---|---|
| Molecular Weight | 391.00 g/mol |
| LogP | 3.25152 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.00067 |
| Heavy Atoms | 25 |
| Complexity | 979.20746 |
Chemical Identifiers
| CAS Number | 6084-65-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)/C=C\3/C(=O)NC(=S)S3 |
Product Overview
BIM-0044831.P001 (CAS 6084-65-7), with molecular formula C17H13NO4S3 and molecular weight 391.00 g/mol. IUPAC: [3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of BIM-0044831.P001
Property Insights of BIM-0044831.P001
The XLogP value of 3.25152 indicates that BIM-0044831.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0044831.P001. Following Lipinski's Rule of Five, BIM-0044831.P001 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 BIM-0044831.P001?
The CAS number of BIM-0044831.P001 is 6084-65-7.
What is the molecular formula of BIM-0044831.P001?
The molecular formula of BIM-0044831.P001 is C17H13NO4S3.
What is the molecular weight of BIM-0044831.P001?
The molecular weight of BIM-0044831.P001 is 391.00 g/mol.
Where can I buy BIM-0044831.P001?
You can request a quote for BIM-0044831.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0044831.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0044831.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.