Rifamycin, 3-((1-pyrrolidinylmethyl)thio)-
TL;DR: Rifamycin, 3-((1-pyrrolidinylmethyl)thio)- (CAS 13724-92-0) is a chemical compound with molecular formula C42H56N2O12S and molecular weight 812.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-26-(pyrrolidin-1-ylmethylsulfanyl)-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl] acetate
Also Known As: 3-Thioether of rifamycin SV, Rifamycin, 3-((1-pyrrolidinylmethyl)thio)-, Rifamycin, 3-[(1-pyrrolidinylmethyl)thio]-, [pentahydroxy-methoxy-heptamethyl-dioxo-(pyrrolidin-1-ylmethylsulfanyl)[?]yl] acetate
| Molecular Formula | C42H56N2O12S |
|---|---|
| Molecular Weight | 812.36 g/mol |
| LogP | 5.89952 |
| Topological Polar Surface Area | 204.55 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 812.3554 |
| Heavy Atoms | 57 |
| Complexity | 1973.6948 |
Chemical Identifiers
| CAS Number | 13724-92-0 |
|---|---|
| SMILES | C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C(=C2SCN5CCCC5)O)O)/C |
Product Overview
Rifamycin, 3-((1-pyrrolidinylmethyl)thio)- (CAS 13724-92-0), with molecular formula C42H56N2O12S and molecular weight 812.36 g/mol. IUPAC: [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-26-(pyrrolidin-1-ylmethylsulfanyl)-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl] acetate.
Chemical Property Profile of Rifamycin, 3-((1-pyrrolidinylmethyl)thio)-
Property Insights of Rifamycin, 3-((1-pyrrolidinylmethyl)thio)-
The XLogP value of 5.89952 indicates that Rifamycin, 3-((1-pyrrolidinylmethyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 204.55 Ų indicates high polarity, suggesting Rifamycin, 3-((1-pyrrolidinylmethyl)thio)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rifamycin, 3-((1-pyrrolidinylmethyl)thio)- has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rifamycin, 3-((1-pyrrolidinylmethyl)thio)-?
The CAS number of Rifamycin, 3-((1-pyrrolidinylmethyl)thio)- is 13724-92-0.
What is the molecular formula of Rifamycin, 3-((1-pyrrolidinylmethyl)thio)-?
The molecular formula of Rifamycin, 3-((1-pyrrolidinylmethyl)thio)- is C42H56N2O12S.
What is the molecular weight of Rifamycin, 3-((1-pyrrolidinylmethyl)thio)-?
The molecular weight of Rifamycin, 3-((1-pyrrolidinylmethyl)thio)- is 812.36 g/mol.
Where can I buy Rifamycin, 3-((1-pyrrolidinylmethyl)thio)-?
You can request a quote for Rifamycin, 3-((1-pyrrolidinylmethyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rifamycin, 3-((1-pyrrolidinylmethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Rifamycin, 3-((1-pyrrolidinylmethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.