Tetrahydrorifamycin S
TL;DR: Tetrahydrorifamycin S (CAS 13929-42-5) is a chemical compound with molecular formula C37H49NO12 and molecular weight 699.3255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S)-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),2,4,9,25-pentaen-13-yl] acetate
Also Known As: Tetrahydrorifamycin S, Rifamycin, 1,4-dideoxy-1,4,16,17,18,19-hexahydro-1,4-dioxo-, (trihydroxy-methoxy-heptamethyl-tetraoxo-[?]yl) acetate, 2,7-(Epoxypentadec[1]enimino)naphtho[2,1-b]furan-1,6,9,11(2H)-tetrone, 5,17,19,21-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate
Technical Specifications
| Molecular Formula | C37H49NO12 |
| Molecular Weight | 699.3255 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 195.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 699.3255 Da |
| Heavy Atoms | 50 |
| Complexity | 1380.0 |
| SMILES | C[C@H]1CCCC(C(=O)NC2=CC(=O)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)C |
| InChIKey | XFVYSNJVWMMLIE-LONSXKSTSA-N |
Chemical Property Profile of Tetrahydrorifamycin S
Property Insights of Tetrahydrorifamycin S
The XLogP value of 4.4 indicates that Tetrahydrorifamycin S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.0 Ų indicates high polarity, suggesting Tetrahydrorifamycin S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetrahydrorifamycin S has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Tetrahydrorifamycin S?
The CAS number of Tetrahydrorifamycin S is 13929-42-5.
What is the molecular formula of Tetrahydrorifamycin S?
The molecular formula of Tetrahydrorifamycin S is C37H49NO12.
What is the molecular weight of Tetrahydrorifamycin S?
The molecular weight of Tetrahydrorifamycin S is 699.3255 g/mol.
Where can I buy Tetrahydrorifamycin S?
You can request a quote for Tetrahydrorifamycin S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tetrahydrorifamycin S?
Yes, CoreyChem provides custom synthesis services for Tetrahydrorifamycin S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.