starbld0026644
TL;DR: starbld0026644 (CAS 328023-47-8) is a chemical compound with molecular formula C18H19NO3S and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: starbld0026644, BAS 00676138, methyl 2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 4,5,6,7-Tetrahydro-2-[(3-methylbenzoyl)amino]-benzo[b]thiophene-3-carboxylic acid methyl ester, Methyl 2-(3-methylbenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C18H19NO3S |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.10855 |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 328023-47-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC |
| InChIKey | KIIUUPRXBAGKAM-UHFFFAOYSA-N |
Product Overview
starbld0026644 (CAS 328023-47-8), with molecular formula C18H19NO3S and molecular weight 329.11 g/mol. IUPAC: methyl 2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of starbld0026644
Property Insights of starbld0026644
The XLogP value of 4.8 indicates that starbld0026644 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0026644. Following Lipinski's Rule of Five, starbld0026644 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 starbld0026644?
The CAS number of starbld0026644 is 328023-47-8.
What is the molecular formula of starbld0026644?
The molecular formula of starbld0026644 is C18H19NO3S.
What is the molecular weight of starbld0026644?
The molecular weight of starbld0026644 is 329.11 g/mol.
Where can I buy starbld0026644?
You can request a quote for starbld0026644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0026644?
Yes, KEHONG BIO provides custom synthesis services for starbld0026644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.