ChemDiv3_003993
TL;DR: ChemDiv3_003993 (CAS 379249-90-8) is a chemical compound with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-hydroxyethylamino)-13,14-dimethyl-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_003993, IDI1_021903, AF-399/40654065, BRD-K32848372-001-01-7, 5-[(2-hydroxyethyl)amino]-9,10-dimethyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one
| Molecular Formula | C17H16N4O2S |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 2.47844 |
| Topological Polar Surface Area | 79.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.0994 |
| Heavy Atoms | 24 |
| Complexity | 1146.4062 |
Chemical Identifiers
| CAS Number | 379249-90-8 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N3C(=N2)C4=CC=CC=C4C(=N3)NCCO)C |
Product Overview
ChemDiv3_003993 (CAS 379249-90-8), with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol. IUPAC: 8-(2-hydroxyethylamino)-13,14-dimethyl-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_003993
Property Insights of ChemDiv3_003993
The XLogP value of 2.47844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_003993. The TPSA of 79.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003993. Following Lipinski's Rule of Five, ChemDiv3_003993 has 2 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 ChemDiv3_003993?
The CAS number of ChemDiv3_003993 is 379249-90-8.
What is the molecular formula of ChemDiv3_003993?
The molecular formula of ChemDiv3_003993 is C17H16N4O2S.
What is the molecular weight of ChemDiv3_003993?
The molecular weight of ChemDiv3_003993 is 340.10 g/mol.
Where can I buy ChemDiv3_003993?
You can request a quote for ChemDiv3_003993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003993?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.