ChemDiv1_023821
TL;DR: ChemDiv1_023821 (CAS 53105-53-6) is a chemical compound with molecular formula C18H15BrN2O3 and molecular weight 386.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-bromo-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) acetate
Also Known As: ChemDiv1_023821, (7-bromo-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) acetate, Acetic acid 7-bromo-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester, (7-bromanyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl) ethanoate, 7-Bromo-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate
| Molecular Formula | C18H15BrN2O3 |
|---|---|
| Molecular Weight | 386.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.0266 |
| Heavy Atoms | 24 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 53105-53-6 |
|---|---|
| SMILES | CC(=O)OC1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3)C |
| InChIKey | CHXMERIMJGXOAR-UHFFFAOYSA-N |
Product Overview
ChemDiv1_023821 (CAS 53105-53-6), with molecular formula C18H15BrN2O3 and molecular weight 386.03 g/mol. IUPAC: (7-bromo-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) acetate.
Chemical Property Profile of ChemDiv1_023821
Property Insights of ChemDiv1_023821
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_023821. With a topological polar surface area (TPSA) of 59.0 Ų, ChemDiv1_023821 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023821 has 0 hydrogen bond donor(s) and 4 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 ChemDiv1_023821?
The CAS number of ChemDiv1_023821 is 53105-53-6.
What is the molecular formula of ChemDiv1_023821?
The molecular formula of ChemDiv1_023821 is C18H15BrN2O3.
What is the molecular weight of ChemDiv1_023821?
The molecular weight of ChemDiv1_023821 is 386.03 g/mol.
Where can I buy ChemDiv1_023821?
You can request a quote for ChemDiv1_023821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023821?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.