RefChem:349853
TL;DR: RefChem:349853 (CAS 67239-20-7) is a chemical compound with molecular formula C20H19ClN2O3 and molecular weight 370.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-6-oxo-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-5-yl)methyl acetate
Also Known As: Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-2-chloro-5(hydroxymethyl)-, acetate (ester), 5,9,10,14b-Tetrahydro-2-chloro-5-(hydroxymethyl)isoquino[2,1-d][1,4]benzodiazepin-6(7H)-one acetate, 5,9,10,14b-Tetrahydro-2-chloro-5- isoquino[2,1-d][1,4]benzodiazepin-6 -oneacetate, (2-Chloro-6-oxo-6,7,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-5(9H)-yl)methyl acetate, (2-chloro-6-oxo-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-5-yl)methyl acetate
| Molecular Formula | C20H19ClN2O3 |
|---|---|
| Molecular Weight | 370.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.10843 |
| Heavy Atoms | 26 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 67239-20-7 |
|---|---|
| SMILES | CC(=O)OCN1C(=O)CN2CCC3=CC=CC=C3C2C4=C1C=CC(=C4)Cl |
| InChIKey | APVGECULNCDJCE-UHFFFAOYSA-N |
Product Overview
RefChem:349853 (CAS 67239-20-7), with molecular formula C20H19ClN2O3 and molecular weight 370.11 g/mol. IUPAC: (2-chloro-6-oxo-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-5-yl)methyl acetate.
Chemical Property Profile of RefChem:349853
Property Insights of RefChem:349853
The XLogP value of 3.3 indicates that RefChem:349853 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, RefChem:349853 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349853 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:349853?
The CAS number of RefChem:349853 is 67239-20-7.
What is the molecular formula of RefChem:349853?
The molecular formula of RefChem:349853 is C20H19ClN2O3.
What is the molecular weight of RefChem:349853?
The molecular weight of RefChem:349853 is 370.11 g/mol.
Where can I buy RefChem:349853?
You can request a quote for RefChem:349853 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349853?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349853 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.