ChemDiv1_005616
TL;DR: ChemDiv1_005616 (CAS 354538-68-4) is a chemical compound with molecular formula C33H35N3O4 and molecular weight 537.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[9-[4-(diethylamino)phenyl]-7-oxo-6-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_005616, 4-{3-[4-(diethylamino)phenyl]-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid, 4-(3-(4-(diethylamino)phenyl)-1-oxo-11-phenyl-3,4-dihydro-1H-dibenzo[b,e][1,4]diazepin-10(2H,5H,11H)-yl)-4-oxobutanoic acid, 4-[9-[4-(diethylamino)phenyl]-7-oxo-6-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid, 4-{14-[4-(DIETHYLAMINO)PHENYL]-12-OXO-10-PHENYL-2,9-DIAZATRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3,5,7-TETRAEN-9-YL}-4-OXOBUTANOIC ACID
| Molecular Formula | C33H35N3O4 |
|---|---|
| Molecular Weight | 537.26 g/mol |
| LogP | 6.2982 |
| Topological Polar Surface Area | 89.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 537.26276 |
| Heavy Atoms | 40 |
| Complexity | 1427.5643 |
Chemical Identifiers
| CAS Number | 354538-68-4 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CC=CC=C5)C(=O)C2 |
Product Overview
ChemDiv1_005616 (CAS 354538-68-4), with molecular formula C33H35N3O4 and molecular weight 537.26 g/mol. IUPAC: 4-[9-[4-(diethylamino)phenyl]-7-oxo-6-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_005616
Property Insights of ChemDiv1_005616
The XLogP value of 6.2982 indicates that ChemDiv1_005616 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005616. Following Lipinski's Rule of Five, ChemDiv1_005616 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005616?
The CAS number of ChemDiv1_005616 is 354538-68-4.
What is the molecular formula of ChemDiv1_005616?
The molecular formula of ChemDiv1_005616 is C33H35N3O4.
What is the molecular weight of ChemDiv1_005616?
The molecular weight of ChemDiv1_005616 is 537.26 g/mol.
Where can I buy ChemDiv1_005616?
You can request a quote for ChemDiv1_005616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005616?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.