BIM-0039438.P001
TL;DR: BIM-0039438.P001 (CAS 423752-56-1) is a chemical compound with molecular formula C23H18N4O4S and molecular weight 446.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BIM-0039438.P001, (5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-{[1-(4-nitrobenzyl)-1H-indol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C23H18N4O4S |
|---|---|
| Molecular Weight | 446.10 g/mol |
| LogP | 3.4105 |
| Topological Polar Surface Area | 97.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.1049 |
| Heavy Atoms | 32 |
| Complexity | 1307.2826 |
Chemical Identifiers
| CAS Number | 423752-56-1 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-])/C(=O)NC1=S |
Product Overview
BIM-0039438.P001 (CAS 423752-56-1), with molecular formula C23H18N4O4S and molecular weight 446.10 g/mol. IUPAC: (5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BIM-0039438.P001
Property Insights of BIM-0039438.P001
The XLogP value of 3.4105 indicates that BIM-0039438.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039438.P001. Following Lipinski's Rule of Five, BIM-0039438.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-0039438.P001?
The CAS number of BIM-0039438.P001 is 423752-56-1.
What is the molecular formula of BIM-0039438.P001?
The molecular formula of BIM-0039438.P001 is C23H18N4O4S.
What is the molecular weight of BIM-0039438.P001?
The molecular weight of BIM-0039438.P001 is 446.10 g/mol.
Where can I buy BIM-0039438.P001?
You can request a quote for BIM-0039438.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039438.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039438.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.