BAS 00541023
TL;DR: BAS 00541023 (CAS 329221-80-9) is a chemical compound with molecular formula C18H21NO4S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(furan-2-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00541023, isopropyl 2-(2-furoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propan-2-yl 2-(furan-2-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, isopropyl 2-(furan-2-carboxamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methylethyl 2-(2-furylcarbonylamino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thioph ene-3-carboxylate
| Molecular Formula | C18H21NO4S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 4.2834 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.11914 |
| Heavy Atoms | 24 |
| Complexity | 745.41187 |
Chemical Identifiers
| CAS Number | 329221-80-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CC=CO3 |
Product Overview
BAS 00541023 (CAS 329221-80-9), with molecular formula C18H21NO4S and molecular weight 347.12 g/mol. IUPAC: propan-2-yl 2-(furan-2-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00541023
Property Insights of BAS 00541023
The XLogP value of 4.2834 indicates that BAS 00541023 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00541023. Following Lipinski's Rule of Five, BAS 00541023 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 00541023?
The CAS number of BAS 00541023 is 329221-80-9.
What is the molecular formula of BAS 00541023?
The molecular formula of BAS 00541023 is C18H21NO4S.
What is the molecular weight of BAS 00541023?
The molecular weight of BAS 00541023 is 347.12 g/mol.
Where can I buy BAS 00541023?
You can request a quote for BAS 00541023 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00541023?
Yes, KEHONG BIO provides custom synthesis services for BAS 00541023 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.