3-Amino-4-deoxo-4-iminorifamycin S
TL;DR: 3-Amino-4-deoxo-4-iminorifamycin S (CAS 62041-01-4) is a chemical compound with molecular formula C37H47N3O11 and molecular weight 709.32 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)-26,27-diamino-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,24,26-octaen-13-yl] acetate
Also Known As: Rifabutin impurity D, 3-Amino-4-imidorifamycin S, Rifabutin impurity D [EP], 3-amino-4-iminorifamycin-S, 3-Amino-4-deoxo-4-iminorifamycin S
| Molecular Formula | C37H47N3O11 |
|---|---|
| Molecular Weight | 709.32 g/mol |
| LogP | 3.00112 |
| Topological Polar Surface Area | 230.29 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 2 |
| Exact Mass | 709.32104 |
| Heavy Atoms | 51 |
| Complexity | 1791.2662 |
Chemical Identifiers
| CAS Number | 62041-01-4 |
|---|---|
| SMILES | C[C@H]1/C=C/C=C(\C(=O)N=C2C(=C(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)N)N)/C |
Product Overview
3-Amino-4-deoxo-4-iminorifamycin S (CAS 62041-01-4), with molecular formula C37H47N3O11 and molecular weight 709.32 g/mol. IUPAC: [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26,27-diamino-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,24,26-octaen-13-yl] acetate.
Chemical Property Profile of 3-Amino-4-deoxo-4-iminorifamycin S
Property Insights of 3-Amino-4-deoxo-4-iminorifamycin S
The XLogP value of 3.00112 indicates that 3-Amino-4-deoxo-4-iminorifamycin S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 230.29 Ų indicates high polarity, suggesting 3-Amino-4-deoxo-4-iminorifamycin S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Amino-4-deoxo-4-iminorifamycin S 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 3-Amino-4-deoxo-4-iminorifamycin S?
The CAS number of 3-Amino-4-deoxo-4-iminorifamycin S is 62041-01-4.
What is the molecular formula of 3-Amino-4-deoxo-4-iminorifamycin S?
The molecular formula of 3-Amino-4-deoxo-4-iminorifamycin S is C37H47N3O11.
What is the molecular weight of 3-Amino-4-deoxo-4-iminorifamycin S?
The molecular weight of 3-Amino-4-deoxo-4-iminorifamycin S is 709.32 g/mol.
Where can I buy 3-Amino-4-deoxo-4-iminorifamycin S?
You can request a quote for 3-Amino-4-deoxo-4-iminorifamycin S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4-deoxo-4-iminorifamycin S?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-deoxo-4-iminorifamycin S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.