BAS 00104361
TL;DR: BAS 00104361 (CAS 201996-38-5) is a chemical compound with molecular formula C33H45N3O9S3 and molecular weight 723.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,10,16-tris-(4-methylphenyl)sulfonyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane
Also Known As: BAS 00104361, J1.808.950E, 4,10,16-Tris[(4-methylphenyl)sulfonyl]-1,7,13-trioxa-4,10,16-triazacyclooctadecane, 4,10,16-Tritosyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane, 4,10,16-TRIS(4-METHYLBENZENESULFONYL)-1,7,13-TRIOXA-4,10,16-TRIAZACYCLOOCTADECANE
| Molecular Formula | C33H45N3O9S3 |
|---|---|
| Molecular Weight | 723.23 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 723.2318 |
| Heavy Atoms | 48 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 201996-38-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCOCCN(CCOCCN(CCOCC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C |
| InChIKey | ZWZKIZMEFFTNEM-UHFFFAOYSA-N |
Product Overview
BAS 00104361 (CAS 201996-38-5), with molecular formula C33H45N3O9S3 and molecular weight 723.23 g/mol. IUPAC: 4,10,16-tris-(4-methylphenyl)sulfonyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane.
Chemical Property Profile of BAS 00104361
Property Insights of BAS 00104361
The XLogP value of 3.2 indicates that BAS 00104361 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.0 Ų indicates high polarity, suggesting BAS 00104361 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00104361 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00104361?
The CAS number of BAS 00104361 is 201996-38-5.
What is the molecular formula of BAS 00104361?
The molecular formula of BAS 00104361 is C33H45N3O9S3.
What is the molecular weight of BAS 00104361?
The molecular weight of BAS 00104361 is 723.23 g/mol.
Where can I buy BAS 00104361?
You can request a quote for BAS 00104361 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00104361?
Yes, KEHONG BIO provides custom synthesis services for BAS 00104361 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.