2-chloro-6-pyrrolidin-1-ylbenzaldehyde
TL;DR: 2-chloro-6-pyrrolidin-1-ylbenzaldehyde (CAS 110406-41-2) is a chemical compound with molecular formula C29H30Cl3N3O and molecular weight 541.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[2-(4-chlorophenyl)ethyl]azepan-4-yl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one;hydrochloride
Also Known As: 2-chloro-6-pyrrolidin-1-ylbenzaldehyde, 1(2H)-Phthalazinone, 2-(1-(2-(4-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-chlorophenyl)methyl)-, monohydrochloride, 1(2H)-Phthalazinone, 2-(1-(2-(4-chlorophenyl)ethyl)hexahydro-1H-azepin -4-yl)-4-((4-chlorophenyl)met, 2-[1-[2-(4-chlorophenyl)ethyl]azepan-4-yl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one;hydrochloride, 2-[1-[2-(4-chlorophenyl)ethyl]azepan-4-yl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one hydrochloride
| Molecular Formula | C29H30Cl3N3O |
|---|---|
| Molecular Weight | 541.15 g/mol |
| LogP | 6.9856 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 541.14545 |
| Heavy Atoms | 36 |
| Complexity | 1353.3131 |
Chemical Identifiers
| CAS Number | 110406-41-2 |
|---|---|
| SMILES | C1CC(CCN(C1)CCC2=CC=C(C=C2)Cl)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl.Cl |
Product Overview
2-chloro-6-pyrrolidin-1-ylbenzaldehyde (CAS 110406-41-2), with molecular formula C29H30Cl3N3O and molecular weight 541.15 g/mol. IUPAC: 2-[1-[2-(4-chlorophenyl)ethyl]azepan-4-yl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one;hydrochloride.
Chemical Property Profile of 2-chloro-6-pyrrolidin-1-ylbenzaldehyde
Property Insights of 2-chloro-6-pyrrolidin-1-ylbenzaldehyde
The XLogP value of 6.9856 indicates that 2-chloro-6-pyrrolidin-1-ylbenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, 2-chloro-6-pyrrolidin-1-ylbenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-6-pyrrolidin-1-ylbenzaldehyde has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-chloro-6-pyrrolidin-1-ylbenzaldehyde?
The CAS number of 2-chloro-6-pyrrolidin-1-ylbenzaldehyde is 110406-41-2.
What is the molecular formula of 2-chloro-6-pyrrolidin-1-ylbenzaldehyde?
The molecular formula of 2-chloro-6-pyrrolidin-1-ylbenzaldehyde is C29H30Cl3N3O.
What is the molecular weight of 2-chloro-6-pyrrolidin-1-ylbenzaldehyde?
The molecular weight of 2-chloro-6-pyrrolidin-1-ylbenzaldehyde is 541.15 g/mol.
Where can I buy 2-chloro-6-pyrrolidin-1-ylbenzaldehyde?
You can request a quote for 2-chloro-6-pyrrolidin-1-ylbenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-6-pyrrolidin-1-ylbenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-6-pyrrolidin-1-ylbenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.