starbld0011183
TL;DR: starbld0011183 (CAS 401596-74-5) is a chemical compound with molecular formula C15H17NO2S and molecular weight 275.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
Also Known As: starbld0011183, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid, AN-648/25106049, 3-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
| Molecular Formula | C15H17NO2S |
|---|---|
| Molecular Weight | 275.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.098 |
| Heavy Atoms | 19 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 401596-74-5 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(SC3=C2CCCC3)C(=O)O)C |
| InChIKey | DAAHOEKJSSYDKX-UHFFFAOYSA-N |
Product Overview
starbld0011183 (CAS 401596-74-5), with molecular formula C15H17NO2S and molecular weight 275.10 g/mol. IUPAC: 3-(2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid.
Chemical Property Profile of starbld0011183
Property Insights of starbld0011183
The XLogP value of 3.9 indicates that starbld0011183 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0011183. Following Lipinski's Rule of Five, starbld0011183 has 1 hydrogen bond donor(s) and 3 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 starbld0011183?
The CAS number of starbld0011183 is 401596-74-5.
What is the molecular formula of starbld0011183?
The molecular formula of starbld0011183 is C15H17NO2S.
What is the molecular weight of starbld0011183?
The molecular weight of starbld0011183 is 275.10 g/mol.
Where can I buy starbld0011183?
You can request a quote for starbld0011183 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0011183?
Yes, KEHONG BIO provides custom synthesis services for starbld0011183 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.