Dorastine
TL;DR: Dorastine (CAS 21228-13-7) is a chemical compound with molecular formula C20H22ClN3 and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
Also Known As: Dorastine, Dorastine [INN], Dorastina, Tox21_113845, CAS-21228-13-7
| Molecular Formula | C20H22ClN3 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 21.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.15024 |
| Heavy Atoms | 24 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 21228-13-7 |
|---|---|
| SMILES | CC1=NC=C(C=C1)CCN2C3=C(CN(CC3)C)C4=C2C=CC(=C4)Cl |
| InChIKey | WCTGYFWVYBPRGF-UHFFFAOYSA-N |
Product Overview
Dorastine (CAS 21228-13-7), with molecular formula C20H22ClN3 and molecular weight 339.15 g/mol. IUPAC: 8-chloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.
Chemical Property Profile of Dorastine
Property Insights of Dorastine
The XLogP value of 3.8 indicates that Dorastine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.1 Ų, Dorastine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dorastine has 0 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 Dorastine?
The CAS number of Dorastine is 21228-13-7.
What is the molecular formula of Dorastine?
The molecular formula of Dorastine is C20H22ClN3.
What is the molecular weight of Dorastine?
The molecular weight of Dorastine is 339.15 g/mol.
Where can I buy Dorastine?
You can request a quote for Dorastine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dorastine?
Yes, KEHONG BIO provides custom synthesis services for Dorastine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.