BAS 00402180
TL;DR: BAS 00402180 (CAS 331426-55-2) is a chemical compound with molecular formula C25H25N3O5S and molecular weight 479.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
Also Known As: BAS 00402180, 2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide, N-benzyl-N-{2-[2-(4-methylbenzylidene)hydrazino]-2-oxoethyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide, 2,3-Dihydro-benzo[1,4]dioxine-6-sulfonic acid benzyl-(4-methyl-benzylidene-hydrazinocarbonylmethyl)-amide, N-Benzyl-N-(2-(2-(4-methylbenzylidene)hydrazineyl)-2-oxoethyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide
| Molecular Formula | C25H25N3O5S |
|---|---|
| Molecular Weight | 479.15 g/mol |
| LogP | 3.10742 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.1515 |
| Heavy Atoms | 34 |
| Complexity | 1275.6631 |
Chemical Identifiers
| CAS Number | 331426-55-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=N/NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 |
Product Overview
BAS 00402180 (CAS 331426-55-2), with molecular formula C25H25N3O5S and molecular weight 479.15 g/mol. IUPAC: 2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide.
Chemical Property Profile of BAS 00402180
Property Insights of BAS 00402180
The XLogP value of 3.10742 indicates that BAS 00402180 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00402180. Following Lipinski's Rule of Five, BAS 00402180 has 1 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 00402180?
The CAS number of BAS 00402180 is 331426-55-2.
What is the molecular formula of BAS 00402180?
The molecular formula of BAS 00402180 is C25H25N3O5S.
What is the molecular weight of BAS 00402180?
The molecular weight of BAS 00402180 is 479.15 g/mol.
Where can I buy BAS 00402180?
You can request a quote for BAS 00402180 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00402180?
Yes, KEHONG BIO provides custom synthesis services for BAS 00402180 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.