RefChem:369379
TL;DR: RefChem:369379 (CAS 64047-85-4) is a chemical compound with molecular formula C22H32ClNO3 and molecular weight 393.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-butan-2-yl-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-3-yl]phenol;hydrate;hydrochloride
Also Known As: m-(3-sec-Butyl-1-(p-hydroxyphenethyl)-3-pyrrolidinyl)phenol hydrochloride hydrate, Phenol, m-(3-sec-butyl-1-(p-hydroxyphenethyl)-3-pyrrolidinyl)-, hydrochloride, hydrate, 3-{3-sec-butyl-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-3-yl}phenol hydrochloride hydrate, 3-[3-butan-2-yl-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-3-yl]phenol hydrate hydrochloride, 3-{3-(Butan-2-yl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-3-yl}phenol--hydrogen chloride--water (1/1/1)
| Molecular Formula | C22H32ClNO3 |
|---|---|
| Molecular Weight | 393.21 g/mol |
| LogP | 3.93 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.20706 |
| Heavy Atoms | 27 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 64047-85-4 |
|---|---|
| SMILES | CCC(C)C1(CCN(C1)CCC2=CC=C(C=C2)O)C3=CC(=CC=C3)O.O.Cl |
| InChIKey | IYJMNCDKEWVELU-UHFFFAOYSA-N |
Product Overview
RefChem:369379 (CAS 64047-85-4), with molecular formula C22H32ClNO3 and molecular weight 393.21 g/mol. IUPAC: 3-[3-butan-2-yl-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-3-yl]phenol;hydrate;hydrochloride.
Chemical Property Profile of RefChem:369379
Property Insights of RefChem:369379
The XLogP value of 3.93 indicates that RefChem:369379 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.7 Ų, RefChem:369379 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:369379 has 4 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:369379?
The CAS number of RefChem:369379 is 64047-85-4.
What is the molecular formula of RefChem:369379?
The molecular formula of RefChem:369379 is C22H32ClNO3.
What is the molecular weight of RefChem:369379?
The molecular weight of RefChem:369379 is 393.21 g/mol.
Where can I buy RefChem:369379?
You can request a quote for RefChem:369379 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:369379?
Yes, KEHONG BIO provides custom synthesis services for RefChem:369379 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.