tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol
TL;DR: tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol (CAS 19970-80-0) is a chemical compound with molecular formula C11H24N2O2 and molecular weight 216.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol
Also Known As: Tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol, 3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol, N,N'-Bis(3-Hydroxypropyl)homopiperazine, N,N'-Bis(3-hydroxypropyl)homo piperazine, 3,3'-(1,4-diazepane-1,4-diyl)dipropan-1-ol
| Molecular Formula | C11H24N2O2 |
|---|---|
| Molecular Weight | 216.18 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 216.18378 |
| Heavy Atoms | 15 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 19970-80-0 |
|---|---|
| SMILES | C1CN(CCN(C1)CCCO)CCCO |
| InChIKey | WYKDLBVWXHCAJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol (CAS 19970-80-0), with molecular formula C11H24N2O2 and molecular weight 216.18 g/mol. IUPAC: 3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol.
Chemical Property Profile of tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol
Property Insights of tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol
The XLogP value of -0.2 indicates that tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.9 Ų, tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol 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 tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol?
The CAS number of tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol is 19970-80-0.
What is the molecular formula of tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol?
The molecular formula of tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol is C11H24N2O2.
What is the molecular weight of tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol?
The molecular weight of tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol is 216.18 g/mol.
Where can I buy tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol?
You can request a quote for tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol?
Yes, KEHONG BIO provides custom synthesis services for tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.