RefChem:331871
TL;DR: RefChem:331871 (CAS 113873-31-7) is a chemical compound with molecular formula C27H47Cl2N3O3 and molecular weight 531.29944 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-di(piperidin-1-yl)propan-2-yl N-(2-heptoxyphenyl)carbamate;dihydrochloride
Also Known As: 1,3-Bis(1-piperidinyl)-2-propyl (2-(heptyloxy)phenyl)carbamate dihydrochloride, (2-(Heptyloxy)phenyl)carbamic acid 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester HCl, Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, dihydrochloride, 1,3-di(piperidin-1-yl)propan-2-yl N-(2-heptoxyphenyl)carbamate dihydrochloride, 1,3-Di(piperidin-1-yl)propan-2-yl hydrogen [2-(heptyloxy)phenyl]carbonimidate--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C27H47Cl2N3O3 |
| Molecular Weight | 531.29944 g/mol |
| XLogP | 6.7683 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 531.29944 Da |
| Heavy Atoms | 35 |
| Complexity | 501.0 |
| SMILES | CCCCCCCOC1=CC=CC=C1NC(=O)OC(CN2CCCCC2)CN3CCCCC3.Cl.Cl |
| InChIKey | JSPZEXUOTQWKGN-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:331871
Property Insights of RefChem:331871
The XLogP value of 6.7683 indicates that RefChem:331871 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, RefChem:331871 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331871 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:331871?
The CAS number of RefChem:331871 is 113873-31-7.
What is the molecular formula of RefChem:331871?
The molecular formula of RefChem:331871 is C27H47Cl2N3O3.
What is the molecular weight of RefChem:331871?
The molecular weight of RefChem:331871 is 531.29944 g/mol.
Where can I buy RefChem:331871?
You can request a quote for RefChem:331871 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:331871?
Yes, CoreyChem provides custom synthesis services for RefChem:331871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.