Ansamycin: Rifamycin derivative R-198
TL;DR: Ansamycin: Rifamycin derivative R-198 (CAS 66892-06-6) is a chemical compound with molecular formula C41H53N3O11S and molecular weight 795.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9E,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-28-(propylamino)-8,33-dioxa-27-thia-24,29-diazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26(30),28-nonaen-13-yl] acetate
Also Known As: Ansamycin: Rifamycin derivative R-198, [(9Z,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-28-(propylamino)-8,33-dioxa-27-thia-24,29-diazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26(30),28-nonaen-13-yl] acetate
| Molecular Formula | C41H53N3O11S |
|---|---|
| Molecular Weight | 795.34 g/mol |
| LogP | 6.48012 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 795.3401 |
| Heavy Atoms | 56 |
| Complexity | 2108.9753 |
Chemical Identifiers
| CAS Number | 66892-06-6 |
|---|---|
| SMILES | CCCNC1=NC2=C(S1)C3=C(C4=C2C5=C(C(=C4O)C)OC(C5=O)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(\C(=O)N3)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O |
Product Overview
Ansamycin: Rifamycin derivative R-198 (CAS 66892-06-6), with molecular formula C41H53N3O11S and molecular weight 795.34 g/mol. IUPAC: [(9E,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-28-(propylamino)-8,33-dioxa-27-thia-24,29-diazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26(30),28-nonaen-13-yl] acetate.
Chemical Property Profile of Ansamycin: Rifamycin derivative R-198
Property Insights of Ansamycin: Rifamycin derivative R-198
The XLogP value of 6.48012 indicates that Ansamycin: Rifamycin derivative R-198 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 206.0 Ų indicates high polarity, suggesting Ansamycin: Rifamycin derivative R-198 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ansamycin: Rifamycin derivative R-198 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 Ansamycin: Rifamycin derivative R-198?
The CAS number of Ansamycin: Rifamycin derivative R-198 is 66892-06-6.
What is the molecular formula of Ansamycin: Rifamycin derivative R-198?
The molecular formula of Ansamycin: Rifamycin derivative R-198 is C41H53N3O11S.
What is the molecular weight of Ansamycin: Rifamycin derivative R-198?
The molecular weight of Ansamycin: Rifamycin derivative R-198 is 795.34 g/mol.
Where can I buy Ansamycin: Rifamycin derivative R-198?
You can request a quote for Ansamycin: Rifamycin derivative R-198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ansamycin: Rifamycin derivative R-198?
Yes, KEHONG BIO provides custom synthesis services for Ansamycin: Rifamycin derivative R-198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.