Phenelfamycin B
TL;DR: Phenelfamycin B (CAS 118498-92-3) is a chemical compound with molecular formula C51H71NO15 and molecular weight 937.48236 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E,4E,6E)-7-[5-[(4E,6E)-8-[[2-[2,3-dihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dienyl]-4-(2-phenylacetyl)oxyoxan-2-yl]-3-(3-hydroxy-6-methoxy-2-methyloxan-4-yl)oxypropanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid
Also Known As: Phenelfamycin B, (2E,4E,6E)-7-[5-[(4E,6E)-8-[[2-[2,3-dihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dienyl]-4-(2-phenylacetyl)oxyoxan-2-yl]-3-(3-hydroxy-6-methoxy-2-methyloxan-4-yl)oxypropanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid
Technical Specifications
| Molecular Formula | C51H71NO15 |
| Molecular Weight | 937.48236 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 229.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 23 |
| Exact Mass | 937.48236 Da |
| Heavy Atoms | 67 |
| Complexity | 1800.0 |
| SMILES | C/C=C/C=C/C1C(C(C(C(O1)(C(COC2CC(OC(C2O)C)OC)C(=O)NC/C=C/C=C(\C)/C(C(C)C3CC(C(O3)/C=C/C=C/C=C/C(=O)O)O)OC)O)O)OC(=O)CC4=CC=CC=C4)(C)C |
| InChIKey | BQKXPBTYVGLILY-CEKXONASSA-N |
Chemical Property Profile of Phenelfamycin B
Property Insights of Phenelfamycin B
The XLogP value of 5.2 indicates that Phenelfamycin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 229.0 Ų indicates high polarity, suggesting Phenelfamycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenelfamycin B has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Phenelfamycin B?
The CAS number of Phenelfamycin B is 118498-92-3.
What is the molecular formula of Phenelfamycin B?
The molecular formula of Phenelfamycin B is C51H71NO15.
What is the molecular weight of Phenelfamycin B?
The molecular weight of Phenelfamycin B is 937.48236 g/mol.
Where can I buy Phenelfamycin B?
You can request a quote for Phenelfamycin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenelfamycin B?
Yes, CoreyChem provides custom synthesis services for Phenelfamycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.