8-O-Acetylrifamycin S
TL;DR: 8-O-Acetylrifamycin S (CAS 31692-65-6) is a chemical compound with molecular formula C39H47NO13 and molecular weight 737.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-15,17-dihydroxy-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-1,3,5(28),9,19,21,25-heptaen-13-yl) acetate
Also Known As: 8-O-Acetylrifamycin S
| Molecular Formula | C39H47NO13 |
|---|---|
| Molecular Weight | 737.30 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 737.30475 |
| Heavy Atoms | 53 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 31692-65-6 |
|---|---|
| SMILES | CC1C=CC=C(C(=O)NC2=CC(=O)C3=C4C(=C(C(=C3C2=O)OC(=O)C)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C |
| InChIKey | JCBLMOFMLCIDKU-UHFFFAOYSA-N |
Product Overview
8-O-Acetylrifamycin S (CAS 31692-65-6), with molecular formula C39H47NO13 and molecular weight 737.30 g/mol. IUPAC: (2-acetyloxy-15,17-dihydroxy-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-1,3,5(28),9,19,21,25-heptaen-13-yl) acetate.
Chemical Property Profile of 8-O-Acetylrifamycin S
Property Insights of 8-O-Acetylrifamycin S
The XLogP value of 4.2 indicates that 8-O-Acetylrifamycin S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.0 Ų indicates high polarity, suggesting 8-O-Acetylrifamycin S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-O-Acetylrifamycin S has 3 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 8-O-Acetylrifamycin S?
The CAS number of 8-O-Acetylrifamycin S is 31692-65-6.
What is the molecular formula of 8-O-Acetylrifamycin S?
The molecular formula of 8-O-Acetylrifamycin S is C39H47NO13.
What is the molecular weight of 8-O-Acetylrifamycin S?
The molecular weight of 8-O-Acetylrifamycin S is 737.30 g/mol.
Where can I buy 8-O-Acetylrifamycin S?
You can request a quote for 8-O-Acetylrifamycin S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-O-Acetylrifamycin S?
Yes, KEHONG BIO provides custom synthesis services for 8-O-Acetylrifamycin S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.