BAS 03334602
TL;DR: BAS 03334602 (CAS 474007-59-5) is a chemical compound with molecular formula C19H17BrClN3O3 and molecular weight 449.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 4-aminobutanoate
Also Known As: BAS 03334602, AB00118112-01, 7-bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl 4-aminobutanoate, [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 4-aminobutanoate, 7-bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl 4-aminobutanoate
| Molecular Formula | C19H17BrClN3O3 |
|---|---|
| Molecular Weight | 449.01 g/mol |
| LogP | 3.5002 |
| Topological Polar Surface Area | 93.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.0142 |
| Heavy Atoms | 27 |
| Complexity | 916.82294 |
Chemical Identifiers
| CAS Number | 474007-59-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)OC(=O)CCCN)Cl |
Product Overview
BAS 03334602 (CAS 474007-59-5), with molecular formula C19H17BrClN3O3 and molecular weight 449.01 g/mol. IUPAC: [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] 4-aminobutanoate.
Chemical Property Profile of BAS 03334602
Property Insights of BAS 03334602
The XLogP value of 3.5002 indicates that BAS 03334602 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03334602. Following Lipinski's Rule of Five, BAS 03334602 has 2 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 BAS 03334602?
The CAS number of BAS 03334602 is 474007-59-5.
What is the molecular formula of BAS 03334602?
The molecular formula of BAS 03334602 is C19H17BrClN3O3.
What is the molecular weight of BAS 03334602?
The molecular weight of BAS 03334602 is 449.01 g/mol.
Where can I buy BAS 03334602?
You can request a quote for BAS 03334602 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03334602?
Yes, KEHONG BIO provides custom synthesis services for BAS 03334602 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.