BIM-0012800.P001
TL;DR: BIM-0012800.P001 (CAS 356586-54-4) is a chemical compound with molecular formula C21H20BrN3O2S2 and molecular weight 489.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-11-methyl-4-prop-2-enyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: BIM-0012800.P001, AN-081/12320038, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-7-methyl-3-prop-2-enyl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-one, 3-allyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 5-[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl-11-methyl-4-prop-2-enyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C21H20BrN3O2S2 |
|---|---|
| Molecular Weight | 489.02 g/mol |
| LogP | 4.3694 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.01804 |
| Heavy Atoms | 29 |
| Complexity | 1151.428 |
Chemical Identifiers
| CAS Number | 356586-54-4 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Br)CC=C |
Product Overview
BIM-0012800.P001 (CAS 356586-54-4), with molecular formula C21H20BrN3O2S2 and molecular weight 489.02 g/mol. IUPAC: 5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-11-methyl-4-prop-2-enyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of BIM-0012800.P001
Property Insights of BIM-0012800.P001
The XLogP value of 4.3694 indicates that BIM-0012800.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, BIM-0012800.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0012800.P001 has 0 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-0012800.P001?
The CAS number of BIM-0012800.P001 is 356586-54-4.
What is the molecular formula of BIM-0012800.P001?
The molecular formula of BIM-0012800.P001 is C21H20BrN3O2S2.
What is the molecular weight of BIM-0012800.P001?
The molecular weight of BIM-0012800.P001 is 489.02 g/mol.
Where can I buy BIM-0012800.P001?
You can request a quote for BIM-0012800.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0012800.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0012800.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.