RefChem:378254
TL;DR: RefChem:378254 (CAS 28740-95-6) is a chemical compound with molecular formula C17H27Cl2N3 and molecular weight 343.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-10-yl)-N,N-diethylethanamine;dihydrochloride
Also Known As: Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 2-(2-(diethylamino)ethyl)-1,2,3,4-tetrahydro-, dihydrochloride, Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4-tetrahydro-2-(2-(diethylamino)ethyl)-, HCl, pyrrolo benzodiazepine,2-(2-1,2,3,4-tetrahydro-,dihydrochloride, 2-(3,4-Dihydro[1,4]diazepino[6,7,1-hi]indol-2(1H)-yl)-N,N-diethylethan-1-amine--hydrogen chloride (1/2), Pyrrolo[3,2,1-jk][1,4]benzodiazepine, 2-[2-(diethylamino)ethyl]-1,2,3,4-tetrahydro-, dihydrochloride
| Molecular Formula | C17H27Cl2N3 |
|---|---|
| Molecular Weight | 343.16 g/mol |
| LogP | 3.6423 |
| Topological Polar Surface Area | 11.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.1582 |
| Heavy Atoms | 22 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 28740-95-6 |
|---|---|
| SMILES | CCN(CC)CCN1CCN2C=CC3=C2C(=CC=C3)C1.Cl.Cl |
| InChIKey | OINFVDFRRUJZFO-UHFFFAOYSA-N |
Product Overview
RefChem:378254 (CAS 28740-95-6), with molecular formula C17H27Cl2N3 and molecular weight 343.16 g/mol. IUPAC: 2-(1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-10-yl)-N,N-diethylethanamine;dihydrochloride.
Chemical Property Profile of RefChem:378254
Property Insights of RefChem:378254
The XLogP value of 3.6423 indicates that RefChem:378254 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 11.4 Ų, RefChem:378254 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:378254 has 2 hydrogen bond donor(s) and 2 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 RefChem:378254?
The CAS number of RefChem:378254 is 28740-95-6.
What is the molecular formula of RefChem:378254?
The molecular formula of RefChem:378254 is C17H27Cl2N3.
What is the molecular weight of RefChem:378254?
The molecular weight of RefChem:378254 is 343.16 g/mol.
Where can I buy RefChem:378254?
You can request a quote for RefChem:378254 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378254?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378254 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.