1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol)
TL;DR: 1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol) (CAS 85095-78-9) is a chemical compound with molecular formula C11H22Cl2N2O2 and molecular weight 284.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-[4-(3-chloro-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-2-ol
Also Known As: 1H-1,4-Diazepine-1,4(5H)-diethanol, tetrahydro-alpha'-bis(chloromethyl)-, N(sup 1),N(sup 4)-Bis-(gamma-chloro-beta-hydroxypropyl)hexahydro-1,4-diazepine, 1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol), Tetrahydro-alpha,alpha'-bis(chloromethyl)-1H-1,4-diazepine-1,4(5H)-diethanol, 1-chloro-3-[4-(3-chloro-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-2-ol
| Molecular Formula | C11H22Cl2N2O2 |
|---|---|
| Molecular Weight | 284.11 g/mol |
| LogP | 0.1935 |
| Topological Polar Surface Area | 46.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.10583 |
| Heavy Atoms | 17 |
| Complexity | 189.91045 |
Chemical Identifiers
| CAS Number | 85095-78-9 |
|---|---|
| SMILES | C1CN(CCN(C1)CC(CCl)O)CC(CCl)O |
Product Overview
1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol) (CAS 85095-78-9), with molecular formula C11H22Cl2N2O2 and molecular weight 284.11 g/mol. IUPAC: 1-chloro-3-[4-(3-chloro-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-2-ol.
Chemical Property Profile of 1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol)
Property Insights of 1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol)
The XLogP value of 0.1935 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol). With a topological polar surface area (TPSA) of 46.94 Ų, 1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol) 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 1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol)?
The CAS number of 1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol) is 85095-78-9.
What is the molecular formula of 1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol)?
The molecular formula of 1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol) is C11H22Cl2N2O2.
What is the molecular weight of 1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol)?
The molecular weight of 1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol) is 284.11 g/mol.
Where can I buy 1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol)?
You can request a quote for 1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(1,4-Diazepane-1,4-diyl)bis(3-chloropropan-2-ol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.