3-((5-Nitrobenzothiazol-2-yl)amino)propanol
TL;DR: 3-((5-Nitrobenzothiazol-2-yl)amino)propanol (CAS 77595-04-1) is a chemical compound with molecular formula C10H11N3O3S and molecular weight 253.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-nitro-1,3-benzothiazol-2-yl)amino]propan-1-ol
Also Known As: EINECS 278-731-1, 3-((5-Nitrobenzothiazol-2-yl)amino)propanol, 3-[(5-nitro-1,3-benzothiazol-2-yl)amino]propan-1-ol, 3-[(5-nitro-2-benzothiazolyl)amino]-1-propanol, 1-Propanol,3-[(5-nitro-2-benzothiazolyl)amino]-
| Molecular Formula | C10H11N3O3S |
|---|---|
| Molecular Weight | 253.05 g/mol |
| LogP | 1.9988 |
| Topological Polar Surface Area | 88.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.05211 |
| Heavy Atoms | 17 |
| Complexity | 540.5757 |
Chemical Identifiers
| CAS Number | 77595-04-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)NCCCO |
Product Overview
3-((5-Nitrobenzothiazol-2-yl)amino)propanol (CAS 77595-04-1), with molecular formula C10H11N3O3S and molecular weight 253.05 g/mol. IUPAC: 3-[(5-nitro-1,3-benzothiazol-2-yl)amino]propan-1-ol.
Chemical Property Profile of 3-((5-Nitrobenzothiazol-2-yl)amino)propanol
Property Insights of 3-((5-Nitrobenzothiazol-2-yl)amino)propanol
The XLogP value of 1.9988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((5-Nitrobenzothiazol-2-yl)amino)propanol. The TPSA of 88.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((5-Nitrobenzothiazol-2-yl)amino)propanol. Following Lipinski's Rule of Five, 3-((5-Nitrobenzothiazol-2-yl)amino)propanol 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 3-((5-Nitrobenzothiazol-2-yl)amino)propanol?
The CAS number of 3-((5-Nitrobenzothiazol-2-yl)amino)propanol is 77595-04-1.
What is the molecular formula of 3-((5-Nitrobenzothiazol-2-yl)amino)propanol?
The molecular formula of 3-((5-Nitrobenzothiazol-2-yl)amino)propanol is C10H11N3O3S.
What is the molecular weight of 3-((5-Nitrobenzothiazol-2-yl)amino)propanol?
The molecular weight of 3-((5-Nitrobenzothiazol-2-yl)amino)propanol is 253.05 g/mol.
Where can I buy 3-((5-Nitrobenzothiazol-2-yl)amino)propanol?
You can request a quote for 3-((5-Nitrobenzothiazol-2-yl)amino)propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((5-Nitrobenzothiazol-2-yl)amino)propanol?
Yes, KEHONG BIO provides custom synthesis services for 3-((5-Nitrobenzothiazol-2-yl)amino)propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.