Rifamycin B, 2-(aminothioxomethyl)hydrazide
TL;DR: Rifamycin B, 2-(aminothioxomethyl)hydrazide (CAS 105432-59-5) is a chemical compound with molecular formula C40H52N4O13S and molecular weight 828.33 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)-27-[2-(2-carbamothioylhydrazinyl)-2-oxoethoxy]-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
Also Known As: Rifamycin B, 2-(aminothioxomethyl)hydrazide, Acetic acid, (((2S,16S,17S,18R,19R,20R,21S,22R,23S)-21-(acetyloxy)-1,2-dihydro-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxy(1,11,13)pentadecatrienoimino)naphtho(2,1-b)furan-9-yl)oxy)-, 2-(aminothioxomethyl)hydrazide, [[2-(2-carbamothioylhydrazino)-2-oxo-ethoxy]-tetrahydroxy-methoxy-heptamethyl-dioxo-[?]yl] acetate, Acetic acid, [[(2S,16S,17S,18R,19R,20R,21S,22R,23S)-21-(acetyloxy)-1,2-dihydro-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-9-yl]oxy]-, 2-(aminothioxomethyl)hydrazide
| Molecular Formula | C40H52N4O13S |
|---|---|
| Molecular Weight | 828.33 g/mol |
| LogP | 3.29172 |
| Topological Polar Surface Area | 257.46 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 828.32513 |
| Heavy Atoms | 58 |
| Complexity | 2051.9607 |
Chemical Identifiers
| CAS Number | 105432-59-5 |
|---|---|
| SMILES | C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=C3C(=C2O)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)OCC(=O)NNC(=S)N)/C |
Product Overview
Rifamycin B, 2-(aminothioxomethyl)hydrazide (CAS 105432-59-5), with molecular formula C40H52N4O13S and molecular weight 828.33 g/mol. IUPAC: [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-27-[2-(2-carbamothioylhydrazinyl)-2-oxoethoxy]-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate.
Chemical Property Profile of Rifamycin B, 2-(aminothioxomethyl)hydrazide
Property Insights of Rifamycin B, 2-(aminothioxomethyl)hydrazide
The XLogP value of 3.29172 indicates that Rifamycin B, 2-(aminothioxomethyl)hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 257.46 Ų indicates high polarity, suggesting Rifamycin B, 2-(aminothioxomethyl)hydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rifamycin B, 2-(aminothioxomethyl)hydrazide has 8 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 B, 2-(aminothioxomethyl)hydrazide?
The CAS number of Rifamycin B, 2-(aminothioxomethyl)hydrazide is 105432-59-5.
What is the molecular formula of Rifamycin B, 2-(aminothioxomethyl)hydrazide?
The molecular formula of Rifamycin B, 2-(aminothioxomethyl)hydrazide is C40H52N4O13S.
What is the molecular weight of Rifamycin B, 2-(aminothioxomethyl)hydrazide?
The molecular weight of Rifamycin B, 2-(aminothioxomethyl)hydrazide is 828.33 g/mol.
Where can I buy Rifamycin B, 2-(aminothioxomethyl)hydrazide?
You can request a quote for Rifamycin B, 2-(aminothioxomethyl)hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rifamycin B, 2-(aminothioxomethyl)hydrazide?
Yes, KEHONG BIO provides custom synthesis services for Rifamycin B, 2-(aminothioxomethyl)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.