TimTec1_000356
TL;DR: TimTec1_000356 (CAS 345977-30-2) is a chemical compound with molecular formula C17H23NO3S and molecular weight 321.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate
Also Known As: TimTec1_000356, BAS 00483351, BRD-A51412780-001-01-6, methyl 2-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate, methyl 2-(bicyclo[2.2.1]hept-2-ylcarbonylamino)-4-ethyl-5-methylthiophene-3-ca rboxylate
| Molecular Formula | C17H23NO3S |
|---|---|
| Molecular Weight | 321.14 g/mol |
| LogP | 3.78022 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.13986 |
| Heavy Atoms | 22 |
| Complexity | 607.2904 |
Chemical Identifiers
| CAS Number | 345977-30-2 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=O)C2CC3CCC2C3)C |
Product Overview
TimTec1_000356 (CAS 345977-30-2), with molecular formula C17H23NO3S and molecular weight 321.14 g/mol. IUPAC: methyl 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate.
Chemical Property Profile of TimTec1_000356
Property Insights of TimTec1_000356
The XLogP value of 3.78022 indicates that TimTec1_000356 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, TimTec1_000356 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_000356 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TimTec1_000356?
The CAS number of TimTec1_000356 is 345977-30-2.
What is the molecular formula of TimTec1_000356?
The molecular formula of TimTec1_000356 is C17H23NO3S.
What is the molecular weight of TimTec1_000356?
The molecular weight of TimTec1_000356 is 321.14 g/mol.
Where can I buy TimTec1_000356?
You can request a quote for TimTec1_000356 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_000356?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_000356 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.