RefChem:233303
TL;DR: RefChem:233303 (CAS 29271-92-9) is a chemical compound with molecular formula C16H24ClNO3 and molecular weight 313.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-carboxylic acid;hydrochloride
Also Known As: LU-4-002, 1-Phthalancarboxylic acid, 3,3-dimethyl-1-(3-(dimethylamino)propyl)-, hydrochloride, 3,3-Dimethyl-1-(3-(dimethylamino)propyl)-1-phthalancarboxylic acid hydrochloride, 1-Phthalancarboxylic acid, 1-(3-(dimethylamino)propyl)-3,3-dimethyl-, hydrochloride, 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-carboxylic acid hydrochloride
| Molecular Formula | C16H24ClNO3 |
|---|---|
| Molecular Weight | 313.14 g/mol |
| LogP | 2.9954 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.14447 |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 29271-92-9 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(O1)(CCCN(C)C)C(=O)O)C.Cl |
| InChIKey | QRESTJHVKFETTR-UHFFFAOYSA-N |
Product Overview
RefChem:233303 (CAS 29271-92-9), with molecular formula C16H24ClNO3 and molecular weight 313.14 g/mol. IUPAC: 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-carboxylic acid;hydrochloride.
Chemical Property Profile of RefChem:233303
Property Insights of RefChem:233303
The XLogP value of 2.9954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:233303. With a topological polar surface area (TPSA) of 49.8 Ų, RefChem:233303 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:233303 has 2 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 RefChem:233303?
The CAS number of RefChem:233303 is 29271-92-9.
What is the molecular formula of RefChem:233303?
The molecular formula of RefChem:233303 is C16H24ClNO3.
What is the molecular weight of RefChem:233303?
The molecular weight of RefChem:233303 is 313.14 g/mol.
Where can I buy RefChem:233303?
You can request a quote for RefChem:233303 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:233303?
Yes, KEHONG BIO provides custom synthesis services for RefChem:233303 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.