BAS 09902845
TL;DR: BAS 09902845 (CAS 297760-21-5) is a chemical compound with molecular formula C18H27N3O5S and molecular weight 397.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate
Also Known As: BAS 09902845, AE-848/33856003, diethyl 3-methyl-5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-{[(4-methyl-1-piperazinyl)acetyl]amino}-2,4-thiophenedicarboxylate, 3-Methyl-5-[2-(4-methyl-piperazin-1-yl)-acetylamino]-thiophene-2,4-dicarboxylic
| Molecular Formula | C18H27N3O5S |
|---|---|
| Molecular Weight | 397.17 g/mol |
| LogP | 1.59582 |
| Topological Polar Surface Area | 88.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.16714 |
| Heavy Atoms | 27 |
| Complexity | 695.41437 |
Chemical Identifiers
| CAS Number | 297760-21-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2CCN(CC2)C |
Product Overview
BAS 09902845 (CAS 297760-21-5), with molecular formula C18H27N3O5S and molecular weight 397.17 g/mol. IUPAC: diethyl 3-methyl-5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of BAS 09902845
Property Insights of BAS 09902845
The XLogP value of 1.59582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09902845. The TPSA of 88.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09902845. Following Lipinski's Rule of Five, BAS 09902845 has 1 hydrogen bond donor(s) and 8 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 09902845?
The CAS number of BAS 09902845 is 297760-21-5.
What is the molecular formula of BAS 09902845?
The molecular formula of BAS 09902845 is C18H27N3O5S.
What is the molecular weight of BAS 09902845?
The molecular weight of BAS 09902845 is 397.17 g/mol.
Where can I buy BAS 09902845?
You can request a quote for BAS 09902845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09902845?
Yes, KEHONG BIO provides custom synthesis services for BAS 09902845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.