3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl-
TL;DR: 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl- (CAS 20430-79-9) is a chemical compound with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-ethoxy-1-methyl-3H-1,4-benzodiazepin-2-one
Also Known As: 3H-1,4-BENZODIAZEPIN-2(1H)-ONE, 7-CHLORO-5-ETHOXY-1-METHYL-, 5-25-02-00008 (Beilstein Handbook Reference), 7-Chloro-5-ethoxy-1-methyl-3H-1,4-benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl-3H-1,4-benzodiazepin-2-one, 7-Chloro-5-ethoxy-1-methyl -1h-1,4-benzodiazepin-2(3h)-one
| Molecular Formula | C12H13ClN2O2 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.06656 |
| Heavy Atoms | 17 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 20430-79-9 |
|---|---|
| SMILES | CCOC1=NCC(=O)N(C2=C1C=C(C=C2)Cl)C |
| InChIKey | CDRROLMXMLSRJV-UHFFFAOYSA-N |
Product Overview
3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl- (CAS 20430-79-9), with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol. IUPAC: 7-chloro-5-ethoxy-1-methyl-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl-
Property Insights of 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl-. With a topological polar surface area (TPSA) of 41.9 Ų, 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl- 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 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl-?
The CAS number of 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl- is 20430-79-9.
What is the molecular formula of 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl-?
The molecular formula of 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl- is C12H13ClN2O2.
What is the molecular weight of 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl-?
The molecular weight of 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl- is 252.07 g/mol.
Where can I buy 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl-?
You can request a quote for 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl- 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-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.