BAS 00850821
TL;DR: BAS 00850821 (CAS 304669-19-0) is a chemical compound with molecular formula C21H17N3O5S and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-4-methyl-2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiophene-3-carboxamide
Also Known As: BAS 00850821, AN-329/40352592, 5-benzyl-2-[({6-nitro-1,3-benzodioxol-5-yl}methylene)amino]-4-methyl-3-thiophenecarboxamide, 2-[(1E)-2-(6-nitro(2H-benzo[3,4-d]1,3-dioxolan-5-yl))-1-azavinyl]-4-methyl-5-b enzylthiophene-3-carboxamide, 5-benzyl-4-methyl-2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiophene-3-carboxamide
| Molecular Formula | C21H17N3O5S |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 4.13372 |
| Topological Polar Surface Area | 117.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.0889 |
| Heavy Atoms | 30 |
| Complexity | 1171.1301 |
Chemical Identifiers
| CAS Number | 304669-19-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)N)/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)CC4=CC=CC=C4 |
Product Overview
BAS 00850821 (CAS 304669-19-0), with molecular formula C21H17N3O5S and molecular weight 423.09 g/mol. IUPAC: 5-benzyl-4-methyl-2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiophene-3-carboxamide.
Chemical Property Profile of BAS 00850821
Property Insights of BAS 00850821
The XLogP value of 4.13372 indicates that BAS 00850821 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00850821. Following Lipinski's Rule of Five, BAS 00850821 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 00850821?
The CAS number of BAS 00850821 is 304669-19-0.
What is the molecular formula of BAS 00850821?
The molecular formula of BAS 00850821 is C21H17N3O5S.
What is the molecular weight of BAS 00850821?
The molecular weight of BAS 00850821 is 423.09 g/mol.
Where can I buy BAS 00850821?
You can request a quote for BAS 00850821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00850821?
Yes, KEHONG BIO provides custom synthesis services for BAS 00850821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.