RefChem:230634
TL;DR: RefChem:230634 (CAS 71802-82-9) is a chemical compound with molecular formula C29H35ClN4O4S and molecular weight 570.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetamidoacridin-9-yl)-[4-(heptylsulfonylamino)-2-methoxyphenyl]azanium chloride
Also Known As: 1-Heptanesulfonanilide, 4'-(3-acetamido-9-acridinylamino)-3'-methoxy-, hydrochloride, dihydrate, 4'-(3-Acetamido-9-acridinylamino)-3'-methoxy-1-heptanesulfonanilide hydrochloride dihydrate, Acetamide, N-(9-(4-(heptylsulfonamido)-2-methoxyanilino)-3-acridinyl)-, monohydrochloride, (3-acetamidoacridin-9-yl)-[4-(heptylsulfonylamino)-2-methoxyphenyl]azanium chloride, RefChem:230634
| Molecular Formula | C29H35ClN4O4S |
|---|---|
| Molecular Weight | 570.21 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 570.2067 |
| Heavy Atoms | 39 |
| Complexity | 850.0 |
Chemical Identifiers
| CAS Number | 71802-82-9 |
|---|---|
| SMILES | CCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)[NH2+]C2=C3C=CC(=CC3=NC4=CC=CC=C42)NC(=O)C)OC.[Cl-] |
| InChIKey | RPXZKILYVGVMPS-UHFFFAOYSA-N |
Product Overview
RefChem:230634 (CAS 71802-82-9), with molecular formula C29H35ClN4O4S and molecular weight 570.21 g/mol. IUPAC: (3-acetamidoacridin-9-yl)-[4-(heptylsulfonylamino)-2-methoxyphenyl]azanium chloride.
Chemical Property Profile of RefChem:230634
Property Insights of RefChem:230634
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:230634. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:230634. Following Lipinski's Rule of Five, RefChem:230634 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:230634?
The CAS number of RefChem:230634 is 71802-82-9.
What is the molecular formula of RefChem:230634?
The molecular formula of RefChem:230634 is C29H35ClN4O4S.
What is the molecular weight of RefChem:230634?
The molecular weight of RefChem:230634 is 570.21 g/mol.
Where can I buy RefChem:230634?
You can request a quote for RefChem:230634 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:230634?
Yes, KEHONG BIO provides custom synthesis services for RefChem:230634 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.