ChemDiv1_001547
TL;DR: ChemDiv1_001547 (CAS 328271-73-4) is a chemical compound with molecular formula C22H21N5O3S and molecular weight 435.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylsulfanyl-6-[(E)-2-(2-nitrophenyl)ethenyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: ChemDiv1_001547, 3-butylsulfanyl-6-[(E)-2-(2-nitrophenyl)ethenyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(butylsulfanyl)-6-(2-{2-nitrophenyl}vinyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(BUTYLSULFANYL)-6-[(E)-2-(2-NITROPHENYL)-1-ETHENYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE
| Molecular Formula | C22H21N5O3S |
|---|---|
| Molecular Weight | 435.14 g/mol |
| LogP | 5.1828 |
| Topological Polar Surface Area | 103.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.1365 |
| Heavy Atoms | 31 |
| Complexity | 1121.8054 |
Chemical Identifiers
| CAS Number | 328271-73-4 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)/C=C/C4=CC=CC=C4[N+](=O)[O-])N=N1 |
Product Overview
ChemDiv1_001547 (CAS 328271-73-4), with molecular formula C22H21N5O3S and molecular weight 435.14 g/mol. IUPAC: 3-butylsulfanyl-6-[(E)-2-(2-nitrophenyl)ethenyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of ChemDiv1_001547
Property Insights of ChemDiv1_001547
The XLogP value of 5.1828 indicates that ChemDiv1_001547 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001547. Following Lipinski's Rule of Five, ChemDiv1_001547 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_001547?
The CAS number of ChemDiv1_001547 is 328271-73-4.
What is the molecular formula of ChemDiv1_001547?
The molecular formula of ChemDiv1_001547 is C22H21N5O3S.
What is the molecular weight of ChemDiv1_001547?
The molecular weight of ChemDiv1_001547 is 435.14 g/mol.
Where can I buy ChemDiv1_001547?
You can request a quote for ChemDiv1_001547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001547?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.