TimTec1_006465
TL;DR: TimTec1_006465 (CAS 337503-08-9) is a chemical compound with molecular formula C27H36N2O2 and molecular weight 420.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-5-propanoyl-6-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: TimTec1_006465, BAS 01355559, 1-{1-hydroxy-3,3-dimethyl-11-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one, 3,3-dimethyl-10-propanoyl-11-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3,3-dimethyl-10-propanoyl-11-[(2,2,3-trimethylcyclopent-3-enyl)methyl]-2,3,4-t rihydro-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one
| Molecular Formula | C27H36N2O2 |
|---|---|
| Molecular Weight | 420.28 g/mol |
| LogP | 6.2494 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.27768 |
| Heavy Atoms | 31 |
| Complexity | 982.7055 |
Chemical Identifiers
| CAS Number | 337503-08-9 |
|---|---|
| SMILES | CCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)CC4CC=C(C4(C)C)C |
Product Overview
TimTec1_006465 (CAS 337503-08-9), with molecular formula C27H36N2O2 and molecular weight 420.28 g/mol. IUPAC: 9,9-dimethyl-5-propanoyl-6-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of TimTec1_006465
Property Insights of TimTec1_006465
The XLogP value of 6.2494 indicates that TimTec1_006465 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_006465 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_006465 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_006465?
The CAS number of TimTec1_006465 is 337503-08-9.
What is the molecular formula of TimTec1_006465?
The molecular formula of TimTec1_006465 is C27H36N2O2.
What is the molecular weight of TimTec1_006465?
The molecular weight of TimTec1_006465 is 420.28 g/mol.
Where can I buy TimTec1_006465?
You can request a quote for TimTec1_006465 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_006465?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_006465 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.