3H-1,4-Benzodiazepin-2(1H)-one, 1,7-dimethyl-5-ethoxy-
TL;DR: 3H-1,4-Benzodiazepin-2(1H)-one, 1,7-dimethyl-5-ethoxy- (CAS 62903-65-5) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethoxy-1,7-dimethyl-3H-1,4-benzodiazepin-2-one
Also Known As: 1,7-Dimethyl-5-ethoxy-3H-1,4-benzodiazepin-2(1H)-one, 5-25-02-00037 (Beilstein Handbook Reference), 3H-1,4-BENZODIAZEPIN-2(1H)-ONE, 1,7-DIMETHYL-5-ETHOXY-, 5-ethoxy-1,7-dimethyl-3H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one, 5-ethoxy-1,3-dihydro-1,7-dimethyl-
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 62903-65-5 |
|---|---|
| SMILES | CCOC1=NCC(=O)N(C2=C1C=C(C=C2)C)C |
| InChIKey | APXRBRJVJGKTSC-UHFFFAOYSA-N |
Product Overview
3H-1,4-Benzodiazepin-2(1H)-one, 1,7-dimethyl-5-ethoxy- (CAS 62903-65-5), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: 5-ethoxy-1,7-dimethyl-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 3H-1,4-Benzodiazepin-2(1H)-one, 1,7-dimethyl-5-ethoxy-
Property Insights of 3H-1,4-Benzodiazepin-2(1H)-one, 1,7-dimethyl-5-ethoxy-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,4-Benzodiazepin-2(1H)-one, 1,7-dimethyl-5-ethoxy-. With a topological polar surface area (TPSA) of 41.9 Ų, 3H-1,4-Benzodiazepin-2(1H)-one, 1,7-dimethyl-5-ethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,4-Benzodiazepin-2(1H)-one, 1,7-dimethyl-5-ethoxy- 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, 1,7-dimethyl-5-ethoxy-?
The CAS number of 3H-1,4-Benzodiazepin-2(1H)-one, 1,7-dimethyl-5-ethoxy- is 62903-65-5.
What is the molecular formula of 3H-1,4-Benzodiazepin-2(1H)-one, 1,7-dimethyl-5-ethoxy-?
The molecular formula of 3H-1,4-Benzodiazepin-2(1H)-one, 1,7-dimethyl-5-ethoxy- is C13H16N2O2.
What is the molecular weight of 3H-1,4-Benzodiazepin-2(1H)-one, 1,7-dimethyl-5-ethoxy-?
The molecular weight of 3H-1,4-Benzodiazepin-2(1H)-one, 1,7-dimethyl-5-ethoxy- is 232.12 g/mol.
Where can I buy 3H-1,4-Benzodiazepin-2(1H)-one, 1,7-dimethyl-5-ethoxy-?
You can request a quote for 3H-1,4-Benzodiazepin-2(1H)-one, 1,7-dimethyl-5-ethoxy- 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, 1,7-dimethyl-5-ethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,4-Benzodiazepin-2(1H)-one, 1,7-dimethyl-5-ethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.