BAS 01100520
TL;DR: BAS 01100520 (CAS 309280-52-2) is a chemical compound with molecular formula C19H22N2O3S3 and molecular weight 422.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-[(2-thiophen-2-ylacetyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 01100520, ethyl 6-methyl-2-(3-(2-(thiophen-2-yl)acetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ETHYL 6-METHYL-2-[({[2-(2-THIENYL)ACETYL]AMINO}CARBOTHIOYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 6-methyl-2-[(2-thiophen-2-ylacetyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-methyl-2-{[(thiophen-2-ylacetyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H22N2O3S3 |
|---|---|
| Molecular Weight | 422.08 g/mol |
| LogP | 4.1668 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.07925 |
| Heavy Atoms | 27 |
| Complexity | 842.7571 |
Chemical Identifiers
| CAS Number | 309280-52-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)CC3=CC=CS3 |
Product Overview
BAS 01100520 (CAS 309280-52-2), with molecular formula C19H22N2O3S3 and molecular weight 422.08 g/mol. IUPAC: ethyl 6-methyl-2-[(2-thiophen-2-ylacetyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01100520
Property Insights of BAS 01100520
The XLogP value of 4.1668 indicates that BAS 01100520 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01100520. Following Lipinski's Rule of Five, BAS 01100520 has 2 hydrogen bond donor(s) and 6 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 01100520?
The CAS number of BAS 01100520 is 309280-52-2.
What is the molecular formula of BAS 01100520?
The molecular formula of BAS 01100520 is C19H22N2O3S3.
What is the molecular weight of BAS 01100520?
The molecular weight of BAS 01100520 is 422.08 g/mol.
Where can I buy BAS 01100520?
You can request a quote for BAS 01100520 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01100520?
Yes, KEHONG BIO provides custom synthesis services for BAS 01100520 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.