![11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/3537/353789-71-6.webp)
11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 353789-71-6) is a chemical compound with molecular formula C28H35N3O2 and molecular weight 445.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-(dimethylamino)phenyl]-9,9-dimethyl-5-(3-methylbutanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-[4-(dimethylamino)phenyl]-9,9-dimethyl-5-(3-methylbutanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 1-{11-[4-(dimethylamino)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-3-methylbutan-1-one, 10-[4-(DIMETHYLAMINO)PHENYL]-14,14-DIMETHYL-9-(3-METHYLBUTANOYL)-2,9-DIAZATRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3(8),4,6-TETRAEN-12-ONE, 11-(4-(dimethylamino)phenyl)-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C28H35N3O2 |
|---|---|
| Molecular Weight | 445.27 g/mol |
| LogP | 5.9417 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.27292 |
| Heavy Atoms | 33 |
| Complexity | 1096.3805 |
Chemical Identifiers
| CAS Number | 353789-71-6 |
|---|---|
| SMILES | CC(C)CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)N(C)C |
Product Overview
11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 353789-71-6), with molecular formula C28H35N3O2 and molecular weight 445.27 g/mol. IUPAC: 6-[4-(dimethylamino)phenyl]-9,9-dimethyl-5-(3-methylbutanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 5.9417 indicates that 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 353789-71-6.
What is the molecular formula of 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C28H35N3O2.
What is the molecular weight of 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 445.27 g/mol.
Where can I buy 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.