A3554/0150684
TL;DR: A3554/0150684 (CAS 138323-22-5) is a chemical compound with molecular formula C19H14BrClN2O4 and molecular weight 447.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-acetyl-7-bromo-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl] acetate
Also Known As: A3554/0150684, 1-Acetyl-7-bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate, 1-Acetyl-3-(acetyloxy)-7-bromo-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one, [1-acetyl-7-bromo-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl] acetate, 1-Acetyl-7-bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate #
| Molecular Formula | C19H14BrClN2O4 |
|---|---|
| Molecular Weight | 447.98 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 447.98254 |
| Heavy Atoms | 27 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 138323-22-5 |
|---|---|
| SMILES | CC(=O)N1C2=C(C=C(C=C2)Br)C(=NC(C1=O)OC(=O)C)C3=CC=CC=C3Cl |
| InChIKey | PSGPKOJDUNKVMZ-UHFFFAOYSA-N |
Product Overview
A3554/0150684 (CAS 138323-22-5), with molecular formula C19H14BrClN2O4 and molecular weight 447.98 g/mol. IUPAC: [1-acetyl-7-bromo-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl] acetate.
Chemical Property Profile of A3554/0150684
Property Insights of A3554/0150684
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3554/0150684. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A3554/0150684. Following Lipinski's Rule of Five, A3554/0150684 has 0 hydrogen bond donor(s) and 5 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 A3554/0150684?
The CAS number of A3554/0150684 is 138323-22-5.
What is the molecular formula of A3554/0150684?
The molecular formula of A3554/0150684 is C19H14BrClN2O4.
What is the molecular weight of A3554/0150684?
The molecular weight of A3554/0150684 is 447.98 g/mol.
Where can I buy A3554/0150684?
You can request a quote for A3554/0150684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3554/0150684?
Yes, KEHONG BIO provides custom synthesis services for A3554/0150684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.