BAS 04357918
TL;DR: BAS 04357918 (CAS 1033591-71-7) is a chemical compound with molecular formula C22H25N3O4S and molecular weight 427.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 04357918, AB00295851-02, F1199-0103, methyl 2-[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C22H25N3O4S |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | 3.79174 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.1566 |
| Heavy Atoms | 30 |
| Complexity | 1043.489 |
Chemical Identifiers
| CAS Number | 1033591-71-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)NC(=O)C(N2)CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC |
Product Overview
BAS 04357918 (CAS 1033591-71-7), with molecular formula C22H25N3O4S and molecular weight 427.16 g/mol. IUPAC: methyl 2-[[2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 04357918
Property Insights of BAS 04357918
The XLogP value of 3.79174 indicates that BAS 04357918 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04357918. Following Lipinski's Rule of Five, BAS 04357918 has 3 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 04357918?
The CAS number of BAS 04357918 is 1033591-71-7.
What is the molecular formula of BAS 04357918?
The molecular formula of BAS 04357918 is C22H25N3O4S.
What is the molecular weight of BAS 04357918?
The molecular weight of BAS 04357918 is 427.16 g/mol.
Where can I buy BAS 04357918?
You can request a quote for BAS 04357918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04357918?
Yes, KEHONG BIO provides custom synthesis services for BAS 04357918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.