BAS 06105382
TL;DR: BAS 06105382 (CAS 380643-96-9) 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.
ethyl 2-[(2-hydroxy-5-methoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: BAS 06105382, AE-848/12529035, ethyl 2-[(2-hydroxy-5-methoxybenzyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[(2-hydroxy-5-methoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-((2-hydroxy-5-methoxybenzyl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C18H21NO4S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 3.7398 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.11914 |
| Heavy Atoms | 24 |
| Complexity | 753.7173 |
Chemical Identifiers
| CAS Number | 380643-96-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NCC3=C(C=CC(=C3)OC)O |
Product Overview
BAS 06105382 (CAS 380643-96-9), with molecular formula C18H21NO4S and molecular weight 347.12 g/mol. IUPAC: ethyl 2-[(2-hydroxy-5-methoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 06105382
Property Insights of BAS 06105382
The XLogP value of 3.7398 indicates that BAS 06105382 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06105382. Following Lipinski's Rule of Five, BAS 06105382 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 06105382?
The CAS number of BAS 06105382 is 380643-96-9.
What is the molecular formula of BAS 06105382?
The molecular formula of BAS 06105382 is C18H21NO4S.
What is the molecular weight of BAS 06105382?
The molecular weight of BAS 06105382 is 347.12 g/mol.
Where can I buy BAS 06105382?
You can request a quote for BAS 06105382 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06105382?
Yes, KEHONG BIO provides custom synthesis services for BAS 06105382 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.