3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one
TL;DR: 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one (CAS 27545-03-5) is a chemical compound with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one
Also Known As: Maybridge3_000077, 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one, IDI1_011464, 5H-1, 1,2,3,4-tetrahydro-3-methoxy-3-methyl-, BRD-A35785861-001-01-8
| Molecular Formula | C11H14N2O2 |
|---|---|
| Molecular Weight | 206.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.10553 |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 27545-03-5 |
|---|---|
| SMILES | CC1(CNC2=CC=CC=C2C(=O)N1)OC |
| InChIKey | ZRLHEEAZCRPXKQ-UHFFFAOYSA-N |
Product Overview
3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one (CAS 27545-03-5), with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol. IUPAC: 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one.
Chemical Property Profile of 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one
Property Insights of 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one. With a topological polar surface area (TPSA) of 50.4 Ų, 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one has 2 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 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one?
The CAS number of 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one is 27545-03-5.
What is the molecular formula of 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one?
The molecular formula of 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one is C11H14N2O2.
What is the molecular weight of 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one?
The molecular weight of 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one is 206.11 g/mol.
Where can I buy 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one?
You can request a quote for 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxy-3-methyl-2,4-dihydro-1H-1,4-benzodiazepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.