D05IPO
TL;DR: D05IPO (CAS 170353-17-0) is a chemical compound with molecular formula C22H27ClN2O3 and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-[1-(2-methoxyphenyl)piperidin-4-yl]methanamine
Also Known As: (7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1-(2-methoxy-phenyl)-piperidin-4-ylmethyl]-amine
| Molecular Formula | C22H27ClN2O3 |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | 3.9946 |
| Topological Polar Surface Area | 42.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.17102 |
| Heavy Atoms | 28 |
| Complexity | 793.1014 |
Chemical Identifiers
| CAS Number | 170353-17-0 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCC(CC2)CNCC3COC4=C(O3)C=C(C=C4)Cl |
Product Overview
D05IPO (CAS 170353-17-0), with molecular formula C22H27ClN2O3 and molecular weight 402.17 g/mol. IUPAC: N-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-[1-(2-methoxyphenyl)piperidin-4-yl]methanamine.
Chemical Property Profile of D05IPO
Property Insights of D05IPO
The XLogP value of 3.9946 indicates that D05IPO is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.96 Ų, D05IPO exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, D05IPO has 1 hydrogen bond donor(s) and 5 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 D05IPO?
The CAS number of D05IPO is 170353-17-0.
What is the molecular formula of D05IPO?
The molecular formula of D05IPO is C22H27ClN2O3.
What is the molecular weight of D05IPO?
The molecular weight of D05IPO is 402.17 g/mol.
Where can I buy D05IPO?
You can request a quote for D05IPO directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D05IPO?
Yes, KEHONG BIO provides custom synthesis services for D05IPO and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.