1,1'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-diyl)bis(3-chloropropan-2-ol)
TL;DR: 1,1'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-diyl)bis(3-chloropropan-2-ol) (CAS 85095-77-8) is a chemical compound with molecular formula C15H22Cl2N2O2 and molecular weight 332.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-[5-(3-chloro-2-hydroxypropyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]propan-2-ol
Also Known As: 3,4-Dihydro-alpha,alpha'-bis(chloromethyl)-1H-1,5-benzodiazepine-1,5(2H)-diethanol, 1H-1,5-Benzodiazepine-1,5(2H)-diethanol, 3,4-dihydro-alpha,alpha'-bis(chloromethyl)-, 1,1'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-diyl)bis(3-chloropropan-2-ol), 1-chloro-3-[5-(3-chloro-2-hydroxypropyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]propan-2-ol, RefChem:1051520
| Molecular Formula | C15H22Cl2N2O2 |
|---|---|
| Molecular Weight | 332.11 g/mol |
| LogP | 1.9025 |
| Topological Polar Surface Area | 46.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.10583 |
| Heavy Atoms | 21 |
| Complexity | 408.43674 |
Chemical Identifiers
| CAS Number | 85095-77-8 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C2N(C1)CC(CCl)O)CC(CCl)O |
Product Overview
1,1'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-diyl)bis(3-chloropropan-2-ol) (CAS 85095-77-8), with molecular formula C15H22Cl2N2O2 and molecular weight 332.11 g/mol. IUPAC: 1-chloro-3-[5-(3-chloro-2-hydroxypropyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]propan-2-ol.
Chemical Property Profile of 1,1'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-diyl)bis(3-chloropropan-2-ol)
Property Insights of 1,1'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-diyl)bis(3-chloropropan-2-ol)
The XLogP value of 1.9025 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-diyl)bis(3-chloropropan-2-ol). With a topological polar surface area (TPSA) of 46.94 Ų, 1,1'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-diyl)bis(3-chloropropan-2-ol) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-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'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-diyl)bis(3-chloropropan-2-ol)?
The CAS number of 1,1'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-diyl)bis(3-chloropropan-2-ol) is 85095-77-8.
What is the molecular formula of 1,1'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-diyl)bis(3-chloropropan-2-ol)?
The molecular formula of 1,1'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-diyl)bis(3-chloropropan-2-ol) is C15H22Cl2N2O2.
What is the molecular weight of 1,1'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-diyl)bis(3-chloropropan-2-ol)?
The molecular weight of 1,1'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-diyl)bis(3-chloropropan-2-ol) is 332.11 g/mol.
Where can I buy 1,1'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-diyl)bis(3-chloropropan-2-ol)?
You can request a quote for 1,1'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-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'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-diyl)bis(3-chloropropan-2-ol)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(3,4-Dihydro-1H-1,5-benzodiazepine-1,5(2H)-diyl)bis(3-chloropropan-2-ol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.