TimTec1_000534
TL;DR: TimTec1_000534 (CAS 328280-55-3) is a chemical compound with molecular formula C28H26N2O2 and molecular weight 422.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzoyl-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: TimTec1_000534, 5-benzoyl-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, BRD-A47790829-001-01-5, 10-benzoyl-3,3-dimethyl-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3,3-dimethyl-11-phenyl-10-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C28H26N2O2 |
|---|---|
| Molecular Weight | 422.20 g/mol |
| LogP | 6.1434 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 422.19943 |
| Heavy Atoms | 32 |
| Complexity | 1212.4493 |
Chemical Identifiers
| CAS Number | 328280-55-3 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C1)C |
Product Overview
TimTec1_000534 (CAS 328280-55-3), with molecular formula C28H26N2O2 and molecular weight 422.20 g/mol. IUPAC: 5-benzoyl-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of TimTec1_000534
Property Insights of TimTec1_000534
The XLogP value of 6.1434 indicates that TimTec1_000534 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, TimTec1_000534 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_000534 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TimTec1_000534?
The CAS number of TimTec1_000534 is 328280-55-3.
What is the molecular formula of TimTec1_000534?
The molecular formula of TimTec1_000534 is C28H26N2O2.
What is the molecular weight of TimTec1_000534?
The molecular weight of TimTec1_000534 is 422.20 g/mol.
Where can I buy TimTec1_000534?
You can request a quote for TimTec1_000534 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_000534?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_000534 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.