BIM-0049727.P001
TL;DR: BIM-0049727.P001 (CAS 306324-07-2) is a chemical compound with molecular formula C21H20N2O3S2 and molecular weight 412.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-[3-[4-(diethylamino)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
Also Known As: BIM-0049727.P001, (Z)-4-((3-(4-(diethylamino)phenyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid, F0393-0195, 4-[(Z)-[3-[4-(diethylamino)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid, 4-{[(5Z)-3-[4-(DIETHYLAMINO)PHENYL]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}BENZOIC ACID
| Molecular Formula | C21H20N2O3S2 |
|---|---|
| Molecular Weight | 412.09 g/mol |
| LogP | 4.6368 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.09152 |
| Heavy Atoms | 28 |
| Complexity | 933.128 |
Chemical Identifiers
| CAS Number | 306324-07-2 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/SC2=S |
Product Overview
BIM-0049727.P001 (CAS 306324-07-2), with molecular formula C21H20N2O3S2 and molecular weight 412.09 g/mol. IUPAC: 4-[(Z)-[3-[4-(diethylamino)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid.
Chemical Property Profile of BIM-0049727.P001
Property Insights of BIM-0049727.P001
The XLogP value of 4.6368 indicates that BIM-0049727.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0049727.P001. Following Lipinski's Rule of Five, BIM-0049727.P001 has 1 hydrogen bond donor(s) and 5 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-0049727.P001?
The CAS number of BIM-0049727.P001 is 306324-07-2.
What is the molecular formula of BIM-0049727.P001?
The molecular formula of BIM-0049727.P001 is C21H20N2O3S2.
What is the molecular weight of BIM-0049727.P001?
The molecular weight of BIM-0049727.P001 is 412.09 g/mol.
Where can I buy BIM-0049727.P001?
You can request a quote for BIM-0049727.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0049727.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0049727.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.