TimTec1_003029
TL;DR: TimTec1_003029 (CAS 445472-24-2) is a chemical compound with molecular formula C27H26N2O3 and molecular weight 426.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzyl-8-methyl-7-phenyl-1,3-dihydropyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate
Also Known As: TimTec1_003029, A2768/0117332, ethyl 2-benzyl-8-methyl-7-phenyl-1,3-dihydropyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate, ethyl 2-methyl-3-phenyl-8-benzyl-7H,9H-1,3-oxazino[5,6-e]indolecarboxylate, ethyl 2-benzyl-8-methyl-7-phenyl-1,2,3,7-tetrahydro-[1,3]oxazino[5,6-e]indole-9-carboxylate
| Molecular Formula | C27H26N2O3 |
|---|---|
| Molecular Weight | 426.19 g/mol |
| LogP | 5.46772 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.19434 |
| Heavy Atoms | 32 |
| Complexity | 1262.8062 |
Chemical Identifiers
| CAS Number | 445472-24-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C3=C(C=C2)OCN(C3)CC4=CC=CC=C4)C5=CC=CC=C5)C |
Product Overview
TimTec1_003029 (CAS 445472-24-2), with molecular formula C27H26N2O3 and molecular weight 426.19 g/mol. IUPAC: ethyl 2-benzyl-8-methyl-7-phenyl-1,3-dihydropyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate.
Chemical Property Profile of TimTec1_003029
Property Insights of TimTec1_003029
The XLogP value of 5.46772 indicates that TimTec1_003029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.7 Ų, TimTec1_003029 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_003029 has 0 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 TimTec1_003029?
The CAS number of TimTec1_003029 is 445472-24-2.
What is the molecular formula of TimTec1_003029?
The molecular formula of TimTec1_003029 is C27H26N2O3.
What is the molecular weight of TimTec1_003029?
The molecular weight of TimTec1_003029 is 426.19 g/mol.
Where can I buy TimTec1_003029?
You can request a quote for TimTec1_003029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_003029?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_003029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.