Rifamycin analog
TL;DR: Rifamycin analog (CAS 191152-96-2) is a chemical compound with molecular formula C54H66N6O19S and molecular weight 1134.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-[2-[[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-acetyloxy-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-26-yl]sulfanyl]ethyl] 5-O-[[(2R,3R,5S)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] pentanedioate
Also Known As: Rifamycin analog, Rifamycin, 3-((2-(4-carboxy-1-oxobutoxy)ethyl)thio)-1,4-dideoxy-1,4-dihydro-1,4-dioxo-, 5'-ester with 3'-azido-3'-deoxythymidine, O1-[2-(acetoxy-trihydroxy-methoxy-heptamethyl-tetraoxo-[?]yl)sulfanylethyl] O5-[[(2R,3R,5S)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl] pentanedioate, Rifamycin, 3-[[2-(4-carboxy-1-oxobutoxy)ethyl]thio]-1,4-dideoxy-1,4-dihydro-1,4-dioxo-, 5'-ester with 3'-azido-3'-deoxythymidine, Rifamycin, 3-[[2-(4-carboxy-1-oxobutoxy)ethyl]thio]-1,4-dideoxy-1,4-dihydro-1,4-dioxo-, 5'-ester with 3'-azido-3'-deoxythymidine (9CI)
| Molecular Formula | C54H66N6O19S |
|---|---|
| Molecular Weight | 1134.41 g/mol |
| LogP | 4.77294 |
| Topological Polar Surface Area | 360.44 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 14 |
| Exact Mass | 1134.4104 |
| Heavy Atoms | 80 |
| Complexity | 3101.727 |
Chemical Identifiers
| CAS Number | 191152-96-2 |
|---|---|
| SMILES | C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=O)C3=C(C2=O)C(=C(C4=C3C(=O)[C@](O4)(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)O)SCCOC(=O)CCCC(=O)OC[C@H]5[C@@H](C[C@H](O5)N6C=C(C(=O)NC6=O)C)N=[N+]=[N-])/C |
Product Overview
Rifamycin analog (CAS 191152-96-2), with molecular formula C54H66N6O19S and molecular weight 1134.41 g/mol. IUPAC: 1-O-[2-[[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-acetyloxy-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-26-yl]sulfanyl]ethyl] 5-O-[[(2R,3R,5S)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] pentanedioate.
Chemical Property Profile of Rifamycin analog
Property Insights of Rifamycin analog
The XLogP value of 4.77294 indicates that Rifamycin analog is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 360.44 Ų indicates high polarity, suggesting Rifamycin analog may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rifamycin analog has 5 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rifamycin analog?
The CAS number of Rifamycin analog is 191152-96-2.
What is the molecular formula of Rifamycin analog?
The molecular formula of Rifamycin analog is C54H66N6O19S.
What is the molecular weight of Rifamycin analog?
The molecular weight of Rifamycin analog is 1134.41 g/mol.
Where can I buy Rifamycin analog?
You can request a quote for Rifamycin analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rifamycin analog?
Yes, KEHONG BIO provides custom synthesis services for Rifamycin analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.