RefChem:349858
TL;DR: RefChem:349858 (CAS 82802-88-8) is a chemical compound with molecular formula C19H19ClN2O3 and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one
Also Known As: 3-Chloro-12,13-dimethoxy-5,9,10,14b-tetrahydroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-3-chloro-12,13-dimethoxy-, Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 3-chloro-5,9,10,14b-tetrahydro-12,13-dimethoxy-, 3-chloro-12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one, 3-Chloro-12,13-dimethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-ol
| Molecular Formula | C19H19ClN2O3 |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.10843 |
| Heavy Atoms | 25 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 82802-88-8 |
|---|---|
| SMILES | COC1=C(C=C2C3C4=C(C=C(C=C4)Cl)NC(=O)CN3CCC2=C1)OC |
| InChIKey | VTYQCFUJOKUXOX-UHFFFAOYSA-N |
Product Overview
RefChem:349858 (CAS 82802-88-8), with molecular formula C19H19ClN2O3 and molecular weight 358.11 g/mol. IUPAC: 3-chloro-12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one.
Chemical Property Profile of RefChem:349858
Property Insights of RefChem:349858
The XLogP value of 3.0 indicates that RefChem:349858 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, RefChem:349858 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349858 has 1 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:349858?
The CAS number of RefChem:349858 is 82802-88-8.
What is the molecular formula of RefChem:349858?
The molecular formula of RefChem:349858 is C19H19ClN2O3.
What is the molecular weight of RefChem:349858?
The molecular weight of RefChem:349858 is 358.11 g/mol.
Where can I buy RefChem:349858?
You can request a quote for RefChem:349858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349858?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.