Halomicin B
TL;DR: Halomicin B (CAS 54356-09-1) is a chemical compound with molecular formula C43H58N2O12 and molecular weight 794.399 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,19E,21Z)-2,15,17,29-tetrahydroxy-27-[2-(1-hydroxyethyl)pyrrolidin-1-yl]-11-methoxy-3,7,12,14,16,18,22-heptamethyl-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: Halomicin B, Rifamycin, 4-deoxy-4-(2-(1-hydroxyethyl)-1-pyrrolidinyl)-, (4(2R(1S)))-, [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,29-tetrahydroxy-27-[2-(1-hydroxyethyl)pyrrolidin-1-yl]-11-methoxy-3,7,12,14,16,18,22-heptamethyl-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
Technical Specifications
| Molecular Formula | C43H58N2O12 |
| Molecular Weight | 794.399 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 205.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 794.399 Da |
| Heavy Atoms | 57 |
| Complexity | 1540.0 |
| SMILES | C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=C3C(=C2O)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)N5CCCC5C(C)O)/C |
| InChIKey | DBVJZITWQIGQRT-CMOSQAEKSA-N |
Chemical Property Profile of Halomicin B
Property Insights of Halomicin B
The XLogP value of 6.2 indicates that Halomicin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 205.0 Ų indicates high polarity, suggesting Halomicin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Halomicin B has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Halomicin B?
The CAS number of Halomicin B is 54356-09-1.
What is the molecular formula of Halomicin B?
The molecular formula of Halomicin B is C43H58N2O12.
What is the molecular weight of Halomicin B?
The molecular weight of Halomicin B is 794.399 g/mol.
Where can I buy Halomicin B?
You can request a quote for Halomicin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Halomicin B?
Yes, CoreyChem provides custom synthesis services for Halomicin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.