RefChem:272900
TL;DR: RefChem:272900 (CAS 67906-34-7) is a chemical compound with molecular formula C18H16N6O3S and molecular weight 396.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-(2-hydroxyethyl)-4-[(5-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile
Also Known As: 3-[[4-[azo]phenyl]amino]propanenitrile, 3-[ [4-[ azo]phenyl]amino]propanenitrile, Propanenitrile, 3-((2-hydroxyethyl)(4-((5-nitro-2-benzothiazolyl)azo)phenyl)amino)-, Propanenitrile, 3-[(2-hydroxyethyl)[4-[(5-nitro-2-benzothiazolyl)azo]phenyl]amino]-, Propanenitrile, 3-((2-hydroxyethyl)(4-(2-(5-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)-
| Molecular Formula | C18H16N6O3S |
|---|---|
| Molecular Weight | 396.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.10046 |
| Heavy Atoms | 28 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 67906-34-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])N(CCC#N)CCO |
| InChIKey | NAAMVSNKSICSNE-UHFFFAOYSA-N |
Product Overview
RefChem:272900 (CAS 67906-34-7), with molecular formula C18H16N6O3S and molecular weight 396.10 g/mol. IUPAC: 3-[N-(2-hydroxyethyl)-4-[(5-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile.
Chemical Property Profile of RefChem:272900
Property Insights of RefChem:272900
The XLogP value of 3.4 indicates that RefChem:272900 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting RefChem:272900 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:272900 has 1 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 RefChem:272900?
The CAS number of RefChem:272900 is 67906-34-7.
What is the molecular formula of RefChem:272900?
The molecular formula of RefChem:272900 is C18H16N6O3S.
What is the molecular weight of RefChem:272900?
The molecular weight of RefChem:272900 is 396.10 g/mol.
Where can I buy RefChem:272900?
You can request a quote for RefChem:272900 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272900?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272900 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.