Nec-5 cpd
TL;DR: Nec-5 cpd (CAS 337363-56-1) is a chemical compound with molecular formula C19H17N3O2S2 and molecular weight 383.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetonitrile
Also Known As: Nec-5 cpd, ChemDiv1_003052, SDCCGSBI-0654252.P001, BAS 01258283, Necrostatin-5, >=98% (HPLC), solid
| Molecular Formula | C19H17N3O2S2 |
|---|---|
| Molecular Weight | 383.08 g/mol |
| LogP | 3.95028 |
| Topological Polar Surface Area | 67.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.07623 |
| Heavy Atoms | 26 |
| Complexity | 1061.5533 |
Chemical Identifiers
| CAS Number | 337363-56-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC#N)SC4=C3CCCC4 |
Product Overview
Nec-5 cpd (CAS 337363-56-1), with molecular formula C19H17N3O2S2 and molecular weight 383.08 g/mol. IUPAC: 2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetonitrile.
Chemical Property Profile of Nec-5 cpd
Property Insights of Nec-5 cpd
The XLogP value of 3.95028 indicates that Nec-5 cpd is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Nec-5 cpd. Following Lipinski's Rule of Five, Nec-5 cpd 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 Nec-5 cpd?
The CAS number of Nec-5 cpd is 337363-56-1.
What is the molecular formula of Nec-5 cpd?
The molecular formula of Nec-5 cpd is C19H17N3O2S2.
What is the molecular weight of Nec-5 cpd?
The molecular weight of Nec-5 cpd is 383.08 g/mol.
Where can I buy Nec-5 cpd?
You can request a quote for Nec-5 cpd directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nec-5 cpd?
Yes, KEHONG BIO provides custom synthesis services for Nec-5 cpd and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.