2-Nitro-
TL;DR: 2-Nitro- (CAS 249750-75-2) is a chemical compound with molecular formula C19H16N2OS2 and molecular weight 352.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-prop-2-ynylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-Nitro-, A-toluenesulfonyl chloride, BAS 01258300, SDCCGSBI-0659430.P001, 3-phenyl-2-(prop-2-yn-1-ylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C19H16N2OS2 |
|---|---|
| Molecular Weight | 352.07 g/mol |
| LogP | 4.0513 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.0704 |
| Heavy Atoms | 24 |
| Complexity | 996.1092 |
Chemical Identifiers
| CAS Number | 249750-75-2 |
|---|---|
| SMILES | C#CCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=CC=C4 |
Product Overview
2-Nitro- (CAS 249750-75-2), with molecular formula C19H16N2OS2 and molecular weight 352.07 g/mol. IUPAC: 3-phenyl-2-prop-2-ynylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-Nitro-
Property Insights of 2-Nitro-
The XLogP value of 4.0513 indicates that 2-Nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 2-Nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitro- has 0 hydrogen bond donor(s) and 4 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 2-Nitro-?
The CAS number of 2-Nitro- is 249750-75-2.
What is the molecular formula of 2-Nitro-?
The molecular formula of 2-Nitro- is C19H16N2OS2.
What is the molecular weight of 2-Nitro-?
The molecular weight of 2-Nitro- is 352.07 g/mol.
Where can I buy 2-Nitro-?
You can request a quote for 2-Nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.