pentrol
TL;DR: pentrol (CAS 17121-34-5) is a chemical compound with molecular formula C19H43N3O5 and molecular weight 393.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentrol
1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol
Also Known As: pentrol, N,N,N,N,N-Pentakis(2-hydroxypropyl)diethylenetriamine, N,N,N',N'',N''-Pentakis(2-hydroxypropyl)diethylenetriamine, 1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol, 2-Propanol, 1,1',1'',1'''-[[(2-hydroxypropyl)imino]bis(2,1-ethanediylnitrilo)]tetrakis-
| Molecular Formula | C19H43N3O5 |
|---|---|
| Molecular Weight | 393.32 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 393.32028 |
| Heavy Atoms | 27 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 17121-34-5 |
|---|---|
| SMILES | CC(CN(CCN(CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O)O |
| InChIKey | LWMWZNOCSCPBCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
pentrol (CAS 17121-34-5), with molecular formula C19H43N3O5 and molecular weight 393.32 g/mol. IUPAC: 1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol.
Chemical Property Profile of pentrol
Property Insights of pentrol
The XLogP value of -0.9 indicates that pentrol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for pentrol. Following Lipinski's Rule of Five, pentrol has 5 hydrogen bond donor(s) and 8 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 pentrol?
The CAS number of pentrol is 17121-34-5.
What is the molecular formula of pentrol?
The molecular formula of pentrol is C19H43N3O5.
What is the molecular weight of pentrol?
The molecular weight of pentrol is 393.32 g/mol.
Where can I buy pentrol?
You can request a quote for pentrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pentrol?
Yes, KEHONG BIO provides custom synthesis services for pentrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.