C15H13BrN2O3S
TL;DR: C15H13BrN2O3S (CAS 454447-04-2) is a chemical compound with molecular formula C15H13BrN2O3S and molecular weight 379.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: (Z)-N'-(1-(5-bromothiophen-2-yl)ethylidene)-2,3-dihydrobenzo[b][1,4]dioxine-2-carbohydrazide, 2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid [1-(5-bromo-thiophen-2-yl)-eth-(Z)-ylidene]-hydrazide, N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
| Molecular Formula | C15H13BrN2O3S |
|---|---|
| Molecular Weight | 379.98 g/mol |
| LogP | 3.1908 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.98303 |
| Heavy Atoms | 22 |
| Complexity | 729.0826 |
Chemical Identifiers
| CAS Number | 454447-04-2 |
|---|---|
| SMILES | C/C(=N/NC(=O)C1COC2=CC=CC=C2O1)/C3=CC=C(S3)Br |
Product Overview
C15H13BrN2O3S (CAS 454447-04-2), with molecular formula C15H13BrN2O3S and molecular weight 379.98 g/mol. IUPAC: N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
Chemical Property Profile of C15H13BrN2O3S
Property Insights of C15H13BrN2O3S
The XLogP value of 3.1908 indicates that C15H13BrN2O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.92 Ų, C15H13BrN2O3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C15H13BrN2O3S has 1 hydrogen bond donor(s) and 5 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 C15H13BrN2O3S?
The CAS number of C15H13BrN2O3S is 454447-04-2.
What is the molecular formula of C15H13BrN2O3S?
The molecular formula of C15H13BrN2O3S is C15H13BrN2O3S.
What is the molecular weight of C15H13BrN2O3S?
The molecular weight of C15H13BrN2O3S is 379.98 g/mol.
Where can I buy C15H13BrN2O3S?
You can request a quote for C15H13BrN2O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H13BrN2O3S?
Yes, KEHONG BIO provides custom synthesis services for C15H13BrN2O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.