Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino-
TL;DR: Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino- (CAS 64037-21-4) is a chemical compound with molecular formula C12H16ClN3O and molecular weight 253.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-1,3-benzoxazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
Also Known As: 5-Chloro-2-(3-(dimethylamino)propyl)aminobenzoxazole, BENZOXAZOLE, 5-CHLORO-2-(3-(DIMETHYLAMINO)PROPYL)AMINO-, 1, N'-(5-chloro-2-benzoxazolyl)-N,N-dimethyl-, 5-Chloro-N-[3-(dimethylamino)propyl]-2-benzoxazolamine, 5-Chloro-N-[3-(dimethylamino)propyl ]-2-benzoxazolamine
| Molecular Formula | C12H16ClN3O |
|---|---|
| Molecular Weight | 253.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.09819 |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 64037-21-4 |
|---|---|
| SMILES | CN(C)CCCNC1=NC2=C(O1)C=CC(=C2)Cl |
| InChIKey | UPXNTQIUGPERQJ-UHFFFAOYSA-N |
Product Overview
Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino- (CAS 64037-21-4), with molecular formula C12H16ClN3O and molecular weight 253.10 g/mol. IUPAC: N-(5-chloro-1,3-benzoxazol-2-yl)-N',N'-dimethylpropane-1,3-diamine.
Chemical Property Profile of Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino-
Property Insights of Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino-
The XLogP value of 3.5 indicates that Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.3 Ų, Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino- has 1 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 Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino-?
The CAS number of Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino- is 64037-21-4.
What is the molecular formula of Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino-?
The molecular formula of Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino- is C12H16ClN3O.
What is the molecular weight of Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino-?
The molecular weight of Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino- is 253.10 g/mol.
Where can I buy Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino-?
You can request a quote for Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino-?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 5-chloro-2-(3-(dimethylamino)propyl)amino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.