TimTec1_005406
TL;DR: TimTec1_005406 (CAS 330156-03-1) is a chemical compound with molecular formula C25H23N3O3S and molecular weight 445.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Also Known As: TimTec1_005406, BAS 00602734, A1958/0082330, benzyl N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate, benzyl 1-benzyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethylcarbamate
| Molecular Formula | C25H23N3O3S |
|---|---|
| Molecular Weight | 445.15 g/mol |
| LogP | 5.08092 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.14603 |
| Heavy Atoms | 32 |
| Complexity | 1209.0842 |
Chemical Identifiers
| CAS Number | 330156-03-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4 |
Product Overview
TimTec1_005406 (CAS 330156-03-1), with molecular formula C25H23N3O3S and molecular weight 445.15 g/mol. IUPAC: benzyl N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate.
Chemical Property Profile of TimTec1_005406
Property Insights of TimTec1_005406
The XLogP value of 5.08092 indicates that TimTec1_005406 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_005406. Following Lipinski's Rule of Five, TimTec1_005406 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TimTec1_005406?
The CAS number of TimTec1_005406 is 330156-03-1.
What is the molecular formula of TimTec1_005406?
The molecular formula of TimTec1_005406 is C25H23N3O3S.
What is the molecular weight of TimTec1_005406?
The molecular weight of TimTec1_005406 is 445.15 g/mol.
Where can I buy TimTec1_005406?
You can request a quote for TimTec1_005406 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005406?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005406 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.