RefChem:376012
TL;DR: RefChem:376012 (CAS 105138-46-3) is a chemical compound with molecular formula C18H23Cl2N3S and molecular weight 383.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine;dihydrochloride
Also Known As: C18H21N3S.2ClH.3/2H2O, C18-H21-N3-S.2Cl-H.3/2H2-O, Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3-ethyl-7-(2-thienyl)-, hydrochloride, hydrate (2:4:3), 3-Ethyl-7-(thiophen-2-yl)-1,2,3,4,4a,5-hexahydropyrazino[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/2), 3-ethyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine dihydrochloride
| Molecular Formula | C18H23Cl2N3S |
|---|---|
| Molecular Weight | 383.10 g/mol |
| LogP | 3.9532 |
| Topological Polar Surface Area | 18.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.09897 |
| Heavy Atoms | 24 |
| Complexity | 687.33215 |
Chemical Identifiers
| CAS Number | 105138-46-3 |
|---|---|
| SMILES | CCN1CCN2C(C1)CN=C(C3=CC=CC=C32)C4=CC=CS4.Cl.Cl |
Product Overview
RefChem:376012 (CAS 105138-46-3), with molecular formula C18H23Cl2N3S and molecular weight 383.10 g/mol. IUPAC: 3-ethyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine;dihydrochloride.
Chemical Property Profile of RefChem:376012
Property Insights of RefChem:376012
The XLogP value of 3.9532 indicates that RefChem:376012 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.84 Ų, RefChem:376012 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:376012 has 0 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 RefChem:376012?
The CAS number of RefChem:376012 is 105138-46-3.
What is the molecular formula of RefChem:376012?
The molecular formula of RefChem:376012 is C18H23Cl2N3S.
What is the molecular weight of RefChem:376012?
The molecular weight of RefChem:376012 is 383.10 g/mol.
Where can I buy RefChem:376012?
You can request a quote for RefChem:376012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:376012?
Yes, KEHONG BIO provides custom synthesis services for RefChem:376012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.