BIM-0039147.P001
TL;DR: BIM-0039147.P001 (CAS 5975-07-5) is a chemical compound with molecular formula C22H20N4O4S and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: BIM-0039147.P001, AF-399/13478019, 2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid, ({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid, ({4-allyl-5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
| Molecular Formula | C22H20N4O4S |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 3.0228 |
| Topological Polar Surface Area | 105.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 436.1205 |
| Heavy Atoms | 31 |
| Complexity | 1152.6891 |
Chemical Identifiers
| CAS Number | 5975-07-5 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
BIM-0039147.P001 (CAS 5975-07-5), with molecular formula C22H20N4O4S and molecular weight 436.12 g/mol. IUPAC: 2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of BIM-0039147.P001
Property Insights of BIM-0039147.P001
The XLogP value of 3.0228 indicates that BIM-0039147.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039147.P001. Following Lipinski's Rule of Five, BIM-0039147.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-0039147.P001?
The CAS number of BIM-0039147.P001 is 5975-07-5.
What is the molecular formula of BIM-0039147.P001?
The molecular formula of BIM-0039147.P001 is C22H20N4O4S.
What is the molecular weight of BIM-0039147.P001?
The molecular weight of BIM-0039147.P001 is 436.12 g/mol.
Where can I buy BIM-0039147.P001?
You can request a quote for BIM-0039147.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039147.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039147.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.