![10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/406/406914-54-3.png)
10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 406914-54-3) is a chemical compound with molecular formula C32H42N2O3 and molecular weight 502.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hexanoyl-9,9-dimethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: 10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 1-{1-hydroxy-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one, 10-hexanoyl-3,3-dimethyl-11-(4-(pentyloxy)phenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 5-hexanoyl-9,9-dimethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C32H42N2O3 |
|---|---|
| Molecular Weight | 502.32 g/mol |
| LogP | 7.9789 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 502.31955 |
| Heavy Atoms | 37 |
| Complexity | 1132.9772 |
Chemical Identifiers
| CAS Number | 406914-54-3 |
|---|---|
| SMILES | CCCCCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)OCCCCC |
Product Overview
10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 406914-54-3), with molecular formula C32H42N2O3 and molecular weight 502.32 g/mol. IUPAC: 5-hexanoyl-9,9-dimethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 7.9789 indicates that 10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-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 58.64 Ų, 10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-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, 10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-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 10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 406914-54-3.
What is the molecular formula of 10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C32H42N2O3.
What is the molecular weight of 10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 502.32 g/mol.
Where can I buy 10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-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 10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 10-hexanoyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-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.