RefChem:349860
TL;DR: RefChem:349860 (CAS 10256-57-2) is a chemical compound with molecular formula C20H19ClN2O and molecular weight 338.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-prop-2-enyl-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-one
Also Known As: 5,9,10,14b-Tetrahydro-5-allyl-2-chloroisoquino(2,1-d)(1,4)-benzodiazepin-6(7H)-one, Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-5-allyl-2-chloro-, 2-chloro-5-prop-2-enyl-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-one, 2-Chloro-5-(prop-2-en-1-yl)-5,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6(7H)-one, BRN 0699245
| Molecular Formula | C20H19ClN2O |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.1186 |
| Heavy Atoms | 24 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 10256-57-2 |
|---|---|
| SMILES | C=CCN1C(=O)CN2CCC3=CC=CC=C3C2C4=C1C=CC(=C4)Cl |
| InChIKey | LVHIVUKQCGDLQX-UHFFFAOYSA-N |
Product Overview
RefChem:349860 (CAS 10256-57-2), with molecular formula C20H19ClN2O and molecular weight 338.12 g/mol. IUPAC: 2-chloro-5-prop-2-enyl-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-one.
Chemical Property Profile of RefChem:349860
Property Insights of RefChem:349860
The XLogP value of 3.9 indicates that RefChem:349860 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, RefChem:349860 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349860 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 RefChem:349860?
The CAS number of RefChem:349860 is 10256-57-2.
What is the molecular formula of RefChem:349860?
The molecular formula of RefChem:349860 is C20H19ClN2O.
What is the molecular weight of RefChem:349860?
The molecular weight of RefChem:349860 is 338.12 g/mol.
Where can I buy RefChem:349860?
You can request a quote for RefChem:349860 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349860?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.