Swalpamycin
TL;DR: Swalpamycin (CAS 112008-27-2) is a chemical compound with molecular formula C37H56O14 and molecular weight 724.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E,5S,6S,7S,9R,11E,13Z,15R,16R)-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-6-[[(4S,6R,7S,9R)-6-hydroxy-4,9-dimethyl-2-oxo-1,3,8-trioxaspiro[4.5]decan-7-yl]oxy]-5,7,9,16-tetramethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
Also Known As: Swalpamycin, (3E,5S,6S,7S,9R,11E,13E,15R,16R)-15-(((6-Deoxy-2,3-di-O-methyl-beta-D-allopyranosyl)oxy)methyl)-6-(((4S,5R,6R,7S,9R)-6-hydroxy-4,9-dimethyl-2-oxo-1,3,8-trioxaspiro(4.5)dec-7-yl)oxy)-5,7,9,16-tetramethyloxacyclohexadeca-3,11,13-triene-2,10-dione, Oxacyclohexadeca-3,11,13-triene-2,10-dione, 15-(((6-deoxy-2,3-di-O-methyl-beta-D-allopyranosyl)oxy)methyl)-6-(((4S,5R,6R,7S,9R)-6-hydroxy-4,9-dimethyl-2-oxo-1,3,8-trioxaspiro(4.5)dec-7-yl)oxy)-5,7,9,16-tetramethyl-, (3E,5S,6S,7S,9R,11E,13E,15R,16R)-
| Molecular Formula | C37H56O14 |
|---|---|
| Molecular Weight | 724.37 g/mol |
| LogP | 3.4114 |
| Topological Polar Surface Area | 174.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 724.367 |
| Heavy Atoms | 51 |
| Complexity | 1283.5537 |
Chemical Identifiers
| CAS Number | 112008-27-2 |
|---|---|
| SMILES | C[C@H]1C[C@H](C(=O)/C=C/C=C\[C@@H]([C@H](OC(=O)/C=C/[C@@H]([C@H]1O[C@H]2[C@@H](C3(C[C@H](O2)C)[C@@H](OC(=O)O3)C)O)C)C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC)C |
Product Overview
Swalpamycin (CAS 112008-27-2), with molecular formula C37H56O14 and molecular weight 724.37 g/mol. IUPAC: (3E,5S,6S,7S,9R,11E,13Z,15R,16R)-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-6-[[(4S,6R,7S,9R)-6-hydroxy-4,9-dimethyl-2-oxo-1,3,8-trioxaspiro[4.5]decan-7-yl]oxy]-5,7,9,16-tetramethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione.
Chemical Property Profile of Swalpamycin
Property Insights of Swalpamycin
The XLogP value of 3.4114 indicates that Swalpamycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.74 Ų indicates high polarity, suggesting Swalpamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Swalpamycin has 2 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 Swalpamycin?
The CAS number of Swalpamycin is 112008-27-2.
What is the molecular formula of Swalpamycin?
The molecular formula of Swalpamycin is C37H56O14.
What is the molecular weight of Swalpamycin?
The molecular weight of Swalpamycin is 724.37 g/mol.
Where can I buy Swalpamycin?
You can request a quote for Swalpamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Swalpamycin?
Yes, KEHONG BIO provides custom synthesis services for Swalpamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.