RefChem:283042
TL;DR: RefChem:283042 (CAS 69353-35-1) is a chemical compound with molecular formula C18H18ClN3O2 and molecular weight 343.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-N-(methoxymethyl)-N-methyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine
Also Known As: 5-25-11-00430 (Beilstein Handbook Reference), 3H-1,4-Benzodiazepine, 7-chloro-2-(N-methoxymethyl-N-methylamino)-5-phenyl-, 4-oxide, 7-Chloro-2-(N-methoxymethyl-N-methylamino)-5-phenyl-3H-1,4-benzodiazepine 4-oxide, 3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-(methoxymethyl)-N-methyl-5-phenyl-, 4-oxide, 7-chloro-2-[(methoxymethyl)(methyl)amino]-5-phenyl-3H-1,4-benzodiazepin-4-ium-4-olate
| Molecular Formula | C18H18ClN3O2 |
|---|---|
| Molecular Weight | 343.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.10876 |
| Heavy Atoms | 24 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 69353-35-1 |
|---|---|
| SMILES | CN(COC)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3 |
| InChIKey | KQPFSYLHGSHACB-UHFFFAOYSA-N |
Product Overview
RefChem:283042 (CAS 69353-35-1), with molecular formula C18H18ClN3O2 and molecular weight 343.11 g/mol. IUPAC: 7-chloro-N-(methoxymethyl)-N-methyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine.
Chemical Property Profile of RefChem:283042
Property Insights of RefChem:283042
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:283042. With a topological polar surface area (TPSA) of 53.6 Ų, RefChem:283042 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:283042 has 0 hydrogen bond donor(s) and 3 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:283042?
The CAS number of RefChem:283042 is 69353-35-1.
What is the molecular formula of RefChem:283042?
The molecular formula of RefChem:283042 is C18H18ClN3O2.
What is the molecular weight of RefChem:283042?
The molecular weight of RefChem:283042 is 343.11 g/mol.
Where can I buy RefChem:283042?
You can request a quote for RefChem:283042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:283042?
Yes, KEHONG BIO provides custom synthesis services for RefChem:283042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.