BAS 04435302
TL;DR: BAS 04435302 (CAS 461422-41-3) is a chemical compound with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-methylthiophene-2-carboxylate
Also Known As: BAS 04435302, F2590-0766, ETHYL 4-CYANO-5-(2,3-DIHYDRO-1,4-BENZODIOXINE-6-AMIDO)-3-METHYLTHIOPHENE-2-CARBOXYLATE, ethyl 4-cyano-5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-methylthiophene-2-carboxylate, ethyl 4-cyano-5-[(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]-3-methylthiophene-2-carboxylate
| Molecular Formula | C18H16N2O5S |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 3.1284 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.078 |
| Heavy Atoms | 26 |
| Complexity | 913.03577 |
Chemical Identifiers
| CAS Number | 461422-41-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCCO3)C#N)C |
Product Overview
BAS 04435302 (CAS 461422-41-3), with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol. IUPAC: ethyl 4-cyano-5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-methylthiophene-2-carboxylate.
Chemical Property Profile of BAS 04435302
Property Insights of BAS 04435302
The XLogP value of 3.1284 indicates that BAS 04435302 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04435302. Following Lipinski's Rule of Five, BAS 04435302 has 1 hydrogen bond donor(s) and 7 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 04435302?
The CAS number of BAS 04435302 is 461422-41-3.
What is the molecular formula of BAS 04435302?
The molecular formula of BAS 04435302 is C18H16N2O5S.
What is the molecular weight of BAS 04435302?
The molecular weight of BAS 04435302 is 372.08 g/mol.
Where can I buy BAS 04435302?
You can request a quote for BAS 04435302 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04435302?
Yes, KEHONG BIO provides custom synthesis services for BAS 04435302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.