Phenelfamycin A
TL;DR: Phenelfamycin A (CAS 118498-91-2) is a chemical compound with molecular formula C51H71NO15 and molecular weight 937.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,4E,6E)-7-[5-[(4E,6E)-8-[[2-[2,4-dihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dienyl]-3-(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 A, (2E,4E,6E)-7-[5-[(4E,6E)-8-[[2-[2,4-dihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dienyl]-3-(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, Benzeneacetic acid, 2-(2-((7-(5-(6-carboxy-1,3,5-hexatrienyl)tetrahydro-4-hydroxy-2-furanyl)-6-methoxy-5-methyl-2,4-octadienyl)amino)-1-(((2,6-dideoxy-3-O-methyl-alpha-lyxo-hexopyranosyl)oxy)methyl)-2-oxoethyl)tetrahydro-2,4-dihydroxy-5,5-dimethyl-6-(1,3-pentadienyl)-2H-pyran-3-yl ester
| Molecular Formula | C51H71NO15 |
|---|---|
| Molecular Weight | 937.48 g/mol |
| LogP | 4.4327 |
| Topological Polar Surface Area | 229.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 22 |
| Exact Mass | 937.48236 |
| Heavy Atoms | 67 |
| Complexity | 1958.7013 |
Chemical Identifiers
| CAS Number | 118498-91-2 |
|---|---|
| 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)OC(=O)CC4=CC=CC=C4)O)(C)C |
Product Overview
Phenelfamycin A (CAS 118498-91-2), with molecular formula C51H71NO15 and molecular weight 937.48 g/mol. IUPAC: (2E,4E,6E)-7-[5-[(4E,6E)-8-[[2-[2,4-dihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dienyl]-3-(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.
Chemical Property Profile of Phenelfamycin A
Property Insights of Phenelfamycin A
The XLogP value of 4.4327 indicates that Phenelfamycin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 229.0 Ų indicates high polarity, suggesting Phenelfamycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenelfamycin A has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenelfamycin A?
The CAS number of Phenelfamycin A is 118498-91-2.
What is the molecular formula of Phenelfamycin A?
The molecular formula of Phenelfamycin A is C51H71NO15.
What is the molecular weight of Phenelfamycin A?
The molecular weight of Phenelfamycin A is 937.48 g/mol.
Where can I buy Phenelfamycin A?
You can request a quote for Phenelfamycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenelfamycin A?
Yes, KEHONG BIO provides custom synthesis services for Phenelfamycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.