3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide
TL;DR: 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide (CAS 3693-14-9) is a chemical compound with molecular formula C17H16ClN3O and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-N,N-dimethyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine
Also Known As: 3H-1,4-BENZODIAZEPINE, 7-CHLORO-2-DIMETHYLAMINO-5-PHENYL-, 4-OXIDE, 5-25-11-00431 (Beilstein Handbook Reference), 7-Chloro-2-dimethylamino-5-phenyl-3H-1,4-benzodiazepine 4-oxide, 7-chloro-N,N-dimethyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine, 7-Chloro-2- -5-phenyl-3H-1,4-benzodiazepine4-oxide
| Molecular Formula | C17H16ClN3O |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.09818 |
| Heavy Atoms | 22 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 3693-14-9 |
|---|---|
| SMILES | CN(C)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3 |
| InChIKey | DQZUAVXXQQOPOW-UHFFFAOYSA-N |
Product Overview
3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide (CAS 3693-14-9), with molecular formula C17H16ClN3O and molecular weight 313.10 g/mol. IUPAC: 7-chloro-N,N-dimethyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine.
Chemical Property Profile of 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide
Property Insights of 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide. With a topological polar surface area (TPSA) of 44.4 Ų, 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide 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 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide?
The CAS number of 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide is 3693-14-9.
What is the molecular formula of 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide?
The molecular formula of 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide is C17H16ClN3O.
What is the molecular weight of 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide?
The molecular weight of 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide is 313.10 g/mol.
Where can I buy 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide?
You can request a quote for 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,4-Benzodiazepine, 7-chloro-2-dimethylamino-5-phenyl-, 4-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.