![2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one structure](/static/products/840/840471-96-7.png)
2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
TL;DR: 2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one (CAS 840471-96-7) is a chemical compound with molecular formula C28H36N2O2 and molecular weight 432.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 3,3,7,8-tetramethyl-11-(4-(pentyloxy)phenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3,3,7,8-tetramethyl-11-[4-(pentyloxy)phenyl]-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
| Molecular Formula | C28H36N2O2 |
|---|---|
| Molecular Weight | 432.28 g/mol |
| LogP | 7.09434 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.27768 |
| Heavy Atoms | 32 |
| Complexity | 1034.1431 |
Chemical Identifiers
| CAS Number | 840471-96-7 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C(N2)C=C(C(=C4)C)C |
Product Overview
2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one (CAS 840471-96-7), with molecular formula C28H36N2O2 and molecular weight 432.28 g/mol. IUPAC: 2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Property Insights of 2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
The XLogP value of 7.09434 indicates that 2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, 2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one has 2 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 2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
The CAS number of 2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is 840471-96-7.
What is the molecular formula of 2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
The molecular formula of 2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is C28H36N2O2.
What is the molecular weight of 2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
The molecular weight of 2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one is 432.28 g/mol.
Where can I buy 2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
You can request a quote for 2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3,9,9-tetramethyl-6-(4-pentoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.