RefChem:283039
TL;DR: RefChem:283039 (CAS 63991-69-5) is a chemical compound with molecular formula C23H20ClN3O and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-7-chloro-N-methyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine
Also Known As: 5-25-11-00433 (Beilstein Handbook Reference), 3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-5-phenyl-N-(phenylmethyl)-, 4-oxide, N-Benzyl-7-chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide, 2-(Benzylmethylamino)-7-chloro-5-phenyl-3H-1,4-benzodiazepine-4-oxide, 7-Chloro-N-methyl-5-phenyl-N-(phenylmethyl)-3H-1,4-benzodiazepin-2-amine 4-oxide
| Molecular Formula | C23H20ClN3O |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.1295 |
| Heavy Atoms | 28 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 63991-69-5 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)C2=NC3=C(C=C(C=C3)Cl)C(=[N+](C2)[O-])C4=CC=CC=C4 |
| InChIKey | KTWONIDOBNOYMH-UHFFFAOYSA-N |
Product Overview
RefChem:283039 (CAS 63991-69-5), with molecular formula C23H20ClN3O and molecular weight 389.13 g/mol. IUPAC: N-benzyl-7-chloro-N-methyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine.
Chemical Property Profile of RefChem:283039
Property Insights of RefChem:283039
The XLogP value of 4.1 indicates that RefChem:283039 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.4 Ų, RefChem:283039 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:283039 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:283039?
The CAS number of RefChem:283039 is 63991-69-5.
What is the molecular formula of RefChem:283039?
The molecular formula of RefChem:283039 is C23H20ClN3O.
What is the molecular weight of RefChem:283039?
The molecular weight of RefChem:283039 is 389.13 g/mol.
Where can I buy RefChem:283039?
You can request a quote for RefChem:283039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:283039?
Yes, KEHONG BIO provides custom synthesis services for RefChem:283039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.