3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-1-methyl-5-(2-propynyloxy)-
TL;DR: 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-1-methyl-5-(2-propynyloxy)- (CAS 62903-59-7) is a chemical compound with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-methyl-5-prop-2-ynoxy-3H-1,4-benzodiazepin-2-one
Also Known As: 5-25-02-00008 (Beilstein Handbook Reference), 3H-1,4-BENZODIAZEPIN-2(1H)-ONE, 7-CHLORO-1-METHYL-5-(2-PROPYNYLOXY)-, 7-Chloro-1-methyl-5-(2-propynyloxy)-3H-1,4-benzodiazepin-2(1H)-one, 7-chloro-1-methyl-5-prop-2-ynoxy-3H-1,4-benzodiazepin-2-one, 7-Chloro-1-methyl-5-(2-propynyloxy)-1H-1,4-benzodiazepin-2(3H)-one
| Molecular Formula | C13H11ClN2O2 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.0509 |
| Heavy Atoms | 18 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 62903-59-7 |
|---|---|
| SMILES | CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)OCC#C |
| InChIKey | NUIHNVRJVSYJRB-UHFFFAOYSA-N |
Product Overview
3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-1-methyl-5-(2-propynyloxy)- (CAS 62903-59-7), with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol. IUPAC: 7-chloro-1-methyl-5-prop-2-ynoxy-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-1-methyl-5-(2-propynyloxy)-
Property Insights of 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-1-methyl-5-(2-propynyloxy)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-1-methyl-5-(2-propynyloxy)-. With a topological polar surface area (TPSA) of 41.9 Ų, 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-1-methyl-5-(2-propynyloxy)- 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-1-methyl-5-(2-propynyloxy)- 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-1-methyl-5-(2-propynyloxy)-?
The CAS number of 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-1-methyl-5-(2-propynyloxy)- is 62903-59-7.
What is the molecular formula of 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-1-methyl-5-(2-propynyloxy)-?
The molecular formula of 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-1-methyl-5-(2-propynyloxy)- is C13H11ClN2O2.
What is the molecular weight of 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-1-methyl-5-(2-propynyloxy)-?
The molecular weight of 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-1-methyl-5-(2-propynyloxy)- is 262.05 g/mol.
Where can I buy 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-1-methyl-5-(2-propynyloxy)-?
You can request a quote for 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-1-methyl-5-(2-propynyloxy)- 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-1-methyl-5-(2-propynyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-1-methyl-5-(2-propynyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.