RefChem:1061937
TL;DR: RefChem:1061937 (CAS 6733-68-2) is a chemical compound with molecular formula C22H30ClNO2 and molecular weight 375.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-naphthalen-1-yl-2-propan-2-yl-5-pyrrolidin-1-ium-1-ylpentanoic acid chloride
Also Known As: 1-Naphthaleneacetic acid, alpha-isopropyl-alpha-(3-pyrrolidinopropyl)-, hydrochloride, alpha-Isopropyl-alpha-(3-pyrrolidinopropyl)-1-naphthaleneacetic acid hydrochloride, 2-Naphthalen-1-yl-2-propan-2-yl-5-pyrrolidin-1-ium-1-ylpentanoic acidchloride, 1-Pyrrolidinevaleric acid, .alpha.-isopropyl-.alpha.-1-naphthyl-, hydrochloride, 2-naphthalen-1-yl-2-propan-2-yl-5-pyrrolidin-1-ium-1-ylpentanoic acid chloride
| Molecular Formula | C22H30ClNO2 |
|---|---|
| Molecular Weight | 375.20 g/mol |
| LogP | 0.28 |
| Topological Polar Surface Area | 41.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.1965 |
| Heavy Atoms | 26 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 6733-68-2 |
|---|---|
| SMILES | CC(C)C(CCC[NH+]1CCCC1)(C2=CC=CC3=CC=CC=C32)C(=O)O.[Cl-] |
| InChIKey | JYUOAWRAIKAGRF-UHFFFAOYSA-N |
Product Overview
RefChem:1061937 (CAS 6733-68-2), with molecular formula C22H30ClNO2 and molecular weight 375.20 g/mol. IUPAC: 2-naphthalen-1-yl-2-propan-2-yl-5-pyrrolidin-1-ium-1-ylpentanoic acid chloride.
Chemical Property Profile of RefChem:1061937
Property Insights of RefChem:1061937
The XLogP value of 0.28 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1061937. With a topological polar surface area (TPSA) of 41.7 Ų, RefChem:1061937 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061937 has 2 hydrogen bond donor(s) and 3 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:1061937?
The CAS number of RefChem:1061937 is 6733-68-2.
What is the molecular formula of RefChem:1061937?
The molecular formula of RefChem:1061937 is C22H30ClNO2.
What is the molecular weight of RefChem:1061937?
The molecular weight of RefChem:1061937 is 375.20 g/mol.
Where can I buy RefChem:1061937?
You can request a quote for RefChem:1061937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061937?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.