Rifamycin B isopropylmethylamide
TL;DR: Rifamycin B isopropylmethylamide (CAS 38128-77-7) is a chemical compound with molecular formula C43H58N2O13 and molecular weight 810.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9E,19E,21E)-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-27-[2-[methyl(propan-2-yl)amino]-2-oxoethoxy]-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 isopropylmethylamide, Acetamide, 2-((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)oxy)-N-isopropyl-N-methyl-, 21-acetate, Rifamycin, 4-O-[2-[methyl(1-methylethyl)amino]-2-oxoethyl]-, [tetrahydroxy-[2-[isopropyl(methyl)amino]-2-oxo-ethoxy]-methoxy-heptamethyl-dioxo-[?]yl] acetate, Acetamide, 2-[[(14E)-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]-N-methyl-N-(1-methylethyl)-
| Molecular Formula | C43H58N2O13 |
|---|---|
| Molecular Weight | 810.39 g/mol |
| LogP | 5.29412 |
| Topological Polar Surface Area | 210.62 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 810.39386 |
| Heavy Atoms | 58 |
| Complexity | 2005.1133 |
Chemical Identifiers
| CAS Number | 38128-77-7 |
|---|---|
| SMILES | CC1/C=C/C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N(C)C(C)C)\C |
Product Overview
Rifamycin B isopropylmethylamide (CAS 38128-77-7), with molecular formula C43H58N2O13 and molecular weight 810.39 g/mol. IUPAC: [(9E,19E,21E)-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-27-[2-[methyl(propan-2-yl)amino]-2-oxoethoxy]-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 isopropylmethylamide
Property Insights of Rifamycin B isopropylmethylamide
The XLogP value of 5.29412 indicates that Rifamycin B isopropylmethylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 210.62 Ų indicates high polarity, suggesting Rifamycin B isopropylmethylamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rifamycin B isopropylmethylamide has 5 hydrogen bond donor(s) and 13 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 isopropylmethylamide?
The CAS number of Rifamycin B isopropylmethylamide is 38128-77-7.
What is the molecular formula of Rifamycin B isopropylmethylamide?
The molecular formula of Rifamycin B isopropylmethylamide is C43H58N2O13.
What is the molecular weight of Rifamycin B isopropylmethylamide?
The molecular weight of Rifamycin B isopropylmethylamide is 810.39 g/mol.
Where can I buy Rifamycin B isopropylmethylamide?
You can request a quote for Rifamycin B isopropylmethylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rifamycin B isopropylmethylamide?
Yes, KEHONG BIO provides custom synthesis services for Rifamycin B isopropylmethylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.