RefChem:1057106
TL;DR: RefChem:1057106 (CAS 40478-17-9) is a chemical compound with molecular formula C22H30BrNO3 and molecular weight 435.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(3-methoxyphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide
Also Known As: KST-1B4005, 1-Pyrrolidinepropanol, alpha,alpha-bis(m-methoxyphenyl)-beta-methyl-, hydrobromide, 1,1-bis(3-methoxyphenyl)-2-methyl-3-(pyrrolidin-1-yl)propan-1-ol hydrobromide(1:1), N-(Bis(2-chloraethyl)aminomethyl)-2-chlorbenzamid, 1,1-(3,3'-Dimethoxydiphenyl)-2-methyl-3-(pyrrolidinyl)propanol hydrobromide
| Molecular Formula | C22H30BrNO3 |
|---|---|
| Molecular Weight | 435.14 g/mol |
| LogP | 4.2495 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.1409 |
| Heavy Atoms | 27 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 40478-17-9 |
|---|---|
| SMILES | CC(CN1CCCC1)C(C2=CC(=CC=C2)OC)(C3=CC(=CC=C3)OC)O.Br |
| InChIKey | JUEYJCNMZDQBSF-UHFFFAOYSA-N |
Product Overview
RefChem:1057106 (CAS 40478-17-9), with molecular formula C22H30BrNO3 and molecular weight 435.14 g/mol. IUPAC: 1,1-bis(3-methoxyphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide.
Chemical Property Profile of RefChem:1057106
Property Insights of RefChem:1057106
The XLogP value of 4.2495 indicates that RefChem:1057106 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, RefChem:1057106 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1057106 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:1057106?
The CAS number of RefChem:1057106 is 40478-17-9.
What is the molecular formula of RefChem:1057106?
The molecular formula of RefChem:1057106 is C22H30BrNO3.
What is the molecular weight of RefChem:1057106?
The molecular weight of RefChem:1057106 is 435.14 g/mol.
Where can I buy RefChem:1057106?
You can request a quote for RefChem:1057106 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057106?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.