3-Bromorifamycins
TL;DR: 3-Bromorifamycins (CAS 57375-25-4) is a chemical compound with molecular formula C37H44BrNO12 and molecular weight 773.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(26-bromo-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-13-yl) acetate
Also Known As: 3-Bromorifamycins, 3-Bromorifamycin S, Ansamycin: Rifamycin derivative R-095, [(9E,19E,21Z)-26-bromo-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-13-yl] acetate
| Molecular Formula | C37H44BrNO12 |
|---|---|
| Molecular Weight | 773.20 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 773.2047 |
| Heavy Atoms | 51 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 57375-25-4 |
|---|---|
| SMILES | CC1C=CC=C(C(=O)NC2=C(C(=O)C3=C(C2=O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)Br)C |
| InChIKey | KEBCSEWEARRZEF-UHFFFAOYSA-N |
Product Overview
3-Bromorifamycins (CAS 57375-25-4), with molecular formula C37H44BrNO12 and molecular weight 773.20 g/mol. IUPAC: (26-bromo-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-13-yl) acetate.
Chemical Property Profile of 3-Bromorifamycins
Property Insights of 3-Bromorifamycins
The XLogP value of 5.0 indicates that 3-Bromorifamycins is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.0 Ų indicates high polarity, suggesting 3-Bromorifamycins may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Bromorifamycins has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Bromorifamycins?
The CAS number of 3-Bromorifamycins is 57375-25-4.
What is the molecular formula of 3-Bromorifamycins?
The molecular formula of 3-Bromorifamycins is C37H44BrNO12.
What is the molecular weight of 3-Bromorifamycins?
The molecular weight of 3-Bromorifamycins is 773.20 g/mol.
Where can I buy 3-Bromorifamycins?
You can request a quote for 3-Bromorifamycins directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromorifamycins?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromorifamycins and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.