BAS 00483349
TL;DR: BAS 00483349 (CAS 333396-73-9) is a chemical compound with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00483349, methyl 2-[(2-thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, METHYL 2-[2-(THIOPHEN-2-YL)ACETAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, 2-(2-Thiophen-2-yl-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester, methyl 2-(2-(thiophen-2-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C16H17NO3S2 |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.06497 |
| Heavy Atoms | 22 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 333396-73-9 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3=CC=CS3 |
| InChIKey | OOHWDQXDMKMDMN-UHFFFAOYSA-N |
Product Overview
BAS 00483349 (CAS 333396-73-9), with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol. IUPAC: methyl 2-[(2-thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00483349
Property Insights of BAS 00483349
The XLogP value of 4.1 indicates that BAS 00483349 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00483349. Following Lipinski's Rule of Five, BAS 00483349 has 1 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 BAS 00483349?
The CAS number of BAS 00483349 is 333396-73-9.
What is the molecular formula of BAS 00483349?
The molecular formula of BAS 00483349 is C16H17NO3S2.
What is the molecular weight of BAS 00483349?
The molecular weight of BAS 00483349 is 335.06 g/mol.
Where can I buy BAS 00483349?
You can request a quote for BAS 00483349 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00483349?
Yes, KEHONG BIO provides custom synthesis services for BAS 00483349 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.