ChemDiv3_004037
TL;DR: ChemDiv3_004037 (CAS 379249-94-2) is a chemical compound with molecular formula C21H22N4OS and molecular weight 378.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13,14-dimethyl-8-(4-methylpiperidin-1-yl)-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one
Also Known As: ChemDiv3_004037, IDI1_021947, 9,10-dimethyl-5-(4-methylpiperidin-1-yl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one, AF-399/40654067, BRD-K67390914-001-01-3
| Molecular Formula | C21H22N4OS |
|---|---|
| Molecular Weight | 378.15 g/mol |
| LogP | 4.31054 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 378.15143 |
| Heavy Atoms | 27 |
| Complexity | 1248.2216 |
Chemical Identifiers
| CAS Number | 379249-94-2 |
|---|---|
| SMILES | CC1CCN(CC1)C2=NN3C(=NC4=C(C3=O)C(=C(S4)C)C)C5=CC=CC=C52 |
Product Overview
ChemDiv3_004037 (CAS 379249-94-2), with molecular formula C21H22N4OS and molecular weight 378.15 g/mol. IUPAC: 13,14-dimethyl-8-(4-methylpiperidin-1-yl)-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one.
Chemical Property Profile of ChemDiv3_004037
Property Insights of ChemDiv3_004037
The XLogP value of 4.31054 indicates that ChemDiv3_004037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.5 Ų, ChemDiv3_004037 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004037 has 0 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 ChemDiv3_004037?
The CAS number of ChemDiv3_004037 is 379249-94-2.
What is the molecular formula of ChemDiv3_004037?
The molecular formula of ChemDiv3_004037 is C21H22N4OS.
What is the molecular weight of ChemDiv3_004037?
The molecular weight of ChemDiv3_004037 is 378.15 g/mol.
Where can I buy ChemDiv3_004037?
You can request a quote for ChemDiv3_004037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004037?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.