BIM-0036116.P001
TL;DR: BIM-0036116.P001 (CAS 1053054-72-0) is a chemical compound with molecular formula C23H21ClN4O2S2 and molecular weight 484.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(1-morpholin-4-ylethylidene)pyrazol-3-one
Also Known As: BIM-0036116.P001, (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(1-morpholin-4-ylethylidene)pyrazol-3-one, (4Z)-1-(1,3-BENZOTHIAZOL-2-YL)-3-{[(4-CHLOROPHENYL)SULFANYL]METHYL}-4-[1-(MORPHOLIN-4-YL)ETHYLIDENE]-4,5-DIHYDRO-1H-PYRAZOL-5-ONE, (4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(morpholin-4-yl)ethylidene]-2,4-dihydro-3H-pyrazol-3-one, (Z)-1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-4-(1-morpholinoethylidene)-1H-pyrazol-5(4H)-one
| Molecular Formula | C23H21ClN4O2S2 |
|---|---|
| Molecular Weight | 484.08 g/mol |
| LogP | 5.0508 |
| Topological Polar Surface Area | 58.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.07944 |
| Heavy Atoms | 32 |
| Complexity | 1183.2192 |
Chemical Identifiers
| CAS Number | 1053054-72-0 |
|---|---|
| SMILES | C/C(=C/1\C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl)/N5CCOCC5 |
Product Overview
BIM-0036116.P001 (CAS 1053054-72-0), with molecular formula C23H21ClN4O2S2 and molecular weight 484.08 g/mol. IUPAC: (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(1-morpholin-4-ylethylidene)pyrazol-3-one.
Chemical Property Profile of BIM-0036116.P001
Property Insights of BIM-0036116.P001
The XLogP value of 5.0508 indicates that BIM-0036116.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.03 Ų, BIM-0036116.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0036116.P001 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0036116.P001?
The CAS number of BIM-0036116.P001 is 1053054-72-0.
What is the molecular formula of BIM-0036116.P001?
The molecular formula of BIM-0036116.P001 is C23H21ClN4O2S2.
What is the molecular weight of BIM-0036116.P001?
The molecular weight of BIM-0036116.P001 is 484.08 g/mol.
Where can I buy BIM-0036116.P001?
You can request a quote for BIM-0036116.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0036116.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0036116.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.