2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy-
TL;DR: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy- (CAS 5558-80-5) is a chemical compound with molecular formula C13H15ClN2O2 and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-methyl-5-propoxy-3H-1,4-benzodiazepin-2-one
Also Known As: 5-25-02-00008 (Beilstein Handbook Reference), 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy-, 7-chloro-1-methyl-5-propoxy-1,3-dihydro-2h-1,4-benzodiazepin-2-one, 1,3-Dihydro-7-chloro-1-methyl-5-propoxy-2H-1,4-benzodiazepin-2-one, 7-chloro-1-methyl-5-propoxy-3H-1,4-benzodiazepin-2-one
| Molecular Formula | C13H15ClN2O2 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0822 |
| Heavy Atoms | 18 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 5558-80-5 |
|---|---|
| SMILES | CCCOC1=NCC(=O)N(C2=C1C=C(C=C2)Cl)C |
| InChIKey | SRIAAJDXRCKFCG-UHFFFAOYSA-N |
Product Overview
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy- (CAS 5558-80-5), with molecular formula C13H15ClN2O2 and molecular weight 266.08 g/mol. IUPAC: 7-chloro-1-methyl-5-propoxy-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy-
Property Insights of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy-. With a topological polar surface area (TPSA) of 41.9 Ų, 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy- 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 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy-?
The CAS number of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy- is 5558-80-5.
What is the molecular formula of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy-?
The molecular formula of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy- is C13H15ClN2O2.
What is the molecular weight of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy-?
The molecular weight of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy- is 266.08 g/mol.
Where can I buy 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy-?
You can request a quote for 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.