RefChem:376011
TL;DR: RefChem:376011 (CAS 105138-51-0) is a chemical compound with molecular formula C21H29Cl2N3S and molecular weight 425.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylbutyl)-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine;dihydrochloride
Also Known As: Tivicay (Dolutegravir Sodium), Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3-(3-methylbutyl)-7-(2-thienyl)-, dihydrochloride, 3-(3-methylbutyl)-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine;dihydrochloride, 3-(3-Methylbutyl)-7-(thiophen-2-yl)-1,2,3,4,4a,5-hexahydropyrazino[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/2), 3-(3-methylbutyl)-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine dihydrochloride
| Molecular Formula | C21H29Cl2N3S |
|---|---|
| Molecular Weight | 425.15 g/mol |
| LogP | 4.9794 |
| Topological Polar Surface Area | 18.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.14594 |
| Heavy Atoms | 27 |
| Complexity | 745.64484 |
Chemical Identifiers
| CAS Number | 105138-51-0 |
|---|---|
| SMILES | CC(C)CCN1CCN2C(C1)CN=C(C3=CC=CC=C32)C4=CC=CS4.Cl.Cl |
Product Overview
RefChem:376011 (CAS 105138-51-0), with molecular formula C21H29Cl2N3S and molecular weight 425.15 g/mol. IUPAC: 3-(3-methylbutyl)-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine;dihydrochloride.
Chemical Property Profile of RefChem:376011
Property Insights of RefChem:376011
The XLogP value of 4.9794 indicates that RefChem:376011 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:376011 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:376011 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:376011?
The CAS number of RefChem:376011 is 105138-51-0.
What is the molecular formula of RefChem:376011?
The molecular formula of RefChem:376011 is C21H29Cl2N3S.
What is the molecular weight of RefChem:376011?
The molecular weight of RefChem:376011 is 425.15 g/mol.
Where can I buy RefChem:376011?
You can request a quote for RefChem:376011 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:376011?
Yes, KEHONG BIO provides custom synthesis services for RefChem:376011 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.