TimTec1_003963
TL;DR: TimTec1_003963 (CAS 315683-65-9) is a chemical compound with molecular formula C15H15NO4S and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methylfuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: TimTec1_003963, 2-[(5-methylfuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, BRD-K92673462-001-01-7, 2-[(5-methyl-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, 2-[(5-methyl-2-furoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid
| Molecular Formula | C15H15NO4S |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.07217 |
| Heavy Atoms | 21 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 315683-65-9 |
|---|---|
| SMILES | CC1=CC=C(O1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O |
| InChIKey | BBVJBJSJRUEXJN-UHFFFAOYSA-N |
Product Overview
TimTec1_003963 (CAS 315683-65-9), with molecular formula C15H15NO4S and molecular weight 305.07 g/mol. IUPAC: 2-[(5-methylfuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of TimTec1_003963
Property Insights of TimTec1_003963
The XLogP value of 3.9 indicates that TimTec1_003963 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_003963. Following Lipinski's Rule of Five, TimTec1_003963 has 2 hydrogen bond donor(s) and 5 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_003963?
The CAS number of TimTec1_003963 is 315683-65-9.
What is the molecular formula of TimTec1_003963?
The molecular formula of TimTec1_003963 is C15H15NO4S.
What is the molecular weight of TimTec1_003963?
The molecular weight of TimTec1_003963 is 305.07 g/mol.
Where can I buy TimTec1_003963?
You can request a quote for TimTec1_003963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_003963?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_003963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.