DALFOPRISTIN
TL;DR: DALFOPRISTIN (CAS 112362-50-2) is a chemical compound with molecular formula C34H50N4O9S and molecular weight 690.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(diethylamino)ethylsulfonyl]-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone
Also Known As: DALFOPRISTIN, Dalfopristin (as mesylate), Dalfopristine; Dalfopristinum; Dalfopristina; Dalfopristina;RP54476;RP-54476;RP 54476, (3R,4R,5E,10E,12E,14S,26R,26aS)-26-[[2-(diethylamino)ethyl]sulfonyl]-8,9,14,15,24,25,26,26a- octahydro-14-hydroxy-3-isopropyl-4,12-dimethyl-3H-21,18-nitrilo-1H,22H-pyrrolo[2,1-c][1,8,4,19]-dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 6-[2-(diethylamino)ethanesulfonyl]-21-hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0(3),?]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone
| Molecular Formula | C34H50N4O9S |
|---|---|
| Molecular Weight | 690.33 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 690.32983 |
| Heavy Atoms | 48 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 112362-50-2 |
|---|---|
| SMILES | CCN(CC)CCS(=O)(=O)C1CCN2C1C(=O)OC(C(C=CC(=O)NCC=CC(=CC(CC(=O)CC3=NC(=CO3)C2=O)O)C)C)C(C)C |
| InChIKey | SUYRLXYYZQTJHF-UHFFFAOYSA-N |
Product Overview
DALFOPRISTIN (CAS 112362-50-2), with molecular formula C34H50N4O9S and molecular weight 690.33 g/mol. IUPAC: 6-[2-(diethylamino)ethylsulfonyl]-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone.
Chemical Property Profile of DALFOPRISTIN
Property Insights of DALFOPRISTIN
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DALFOPRISTIN. The TPSA of 185.0 Ų indicates high polarity, suggesting DALFOPRISTIN may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DALFOPRISTIN has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DALFOPRISTIN?
The CAS number of DALFOPRISTIN is 112362-50-2.
What is the molecular formula of DALFOPRISTIN?
The molecular formula of DALFOPRISTIN is C34H50N4O9S.
What is the molecular weight of DALFOPRISTIN?
The molecular weight of DALFOPRISTIN is 690.33 g/mol.
Where can I buy DALFOPRISTIN?
You can request a quote for DALFOPRISTIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DALFOPRISTIN?
Yes, KEHONG BIO provides custom synthesis services for DALFOPRISTIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.