NCI60_037348
TL;DR: NCI60_037348 (CAS 158771-80-3) is a chemical compound with molecular formula C24H36N4O4S and molecular weight 476.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R)-2-[[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]thiophen-2-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
Also Known As: NCI60_037348, (2r,5s)-2-isopropyl-5-[[5-[[(2s,5r)-5-isopropyl-3,6-dimethoxy-2,5-dihydropyrazin-2-yl]methyl]-2-thienyl]methyl]-3,6-dimethoxy-2,5-dihydropyrazine, (2S,5R)-2-[[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]thiophen-2-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine, Pyrazine, 2,2'-[2,5-thiophenediylbis(methylene)]bis[2,5-dihydro-3,6-dimethoxy-5-(1-methylethyl)-, [2S-[2alpha(2'R*,5'S*),5beta]]-, Pyrazine, 2,2a(2)-[2,5-thiophenediylbis(methylene)]bis[2,5-dihydro-3,6-dimethoxy-5-(1-methylethyl)-, [2S-[2I+/-(2a(2)R*,5a(2)S*),5I(2)]]-
| Molecular Formula | C24H36N4O4S |
|---|---|
| Molecular Weight | 476.25 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 476.24573 |
| Heavy Atoms | 33 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 158771-80-3 |
|---|---|
| SMILES | CC(C)[C@@H]1C(=N[C@H](C(=N1)OC)CC2=CC=C(S2)C[C@H]3C(=N[C@@H](C(=N3)OC)C(C)C)OC)OC |
| InChIKey | WDQIDYNBNRXOSH-VNTMZGSJSA-N |
Product Overview
NCI60_037348 (CAS 158771-80-3), with molecular formula C24H36N4O4S and molecular weight 476.25 g/mol. IUPAC: (2S,5R)-2-[[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]thiophen-2-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine.
Chemical Property Profile of NCI60_037348
Property Insights of NCI60_037348
The XLogP value of 4.5 indicates that NCI60_037348 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_037348. Following Lipinski's Rule of Five, NCI60_037348 has 0 hydrogen bond donor(s) and 9 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 NCI60_037348?
The CAS number of NCI60_037348 is 158771-80-3.
What is the molecular formula of NCI60_037348?
The molecular formula of NCI60_037348 is C24H36N4O4S.
What is the molecular weight of NCI60_037348?
The molecular weight of NCI60_037348 is 476.25 g/mol.
Where can I buy NCI60_037348?
You can request a quote for NCI60_037348 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_037348?
Yes, KEHONG BIO provides custom synthesis services for NCI60_037348 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.