RefChem:1080307
TL;DR: RefChem:1080307 (CAS 51733-49-4) is a chemical compound with molecular formula C33H45NO9 and molecular weight 599.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,3Z,5Z,7S,9Z,11Z,13S,15R,19R)-13-butanoyloxy-1,4,10,19-tetramethyl-17,18-dioxo-2-(2-oxopropanoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-7-yl] butanoate
Also Known As: Lankacidin C 8,14-dibutyrate, 5-18-12-00135 (Beilstein Handbook Reference), Butanoic acid, 2-((1,2-dioxopropyl)amino)-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo(13.2.2)nonadeca-3,5,9,11-tetraene-7,13-diyl ester, (1S-(1R*,2S*,3E,5E,7R*,9E,11E,13R*,15S*,19S*))-, [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-3-butanoyloxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] butanoate, RefChem:1080307
| Molecular Formula | C33H45NO9 |
|---|---|
| Molecular Weight | 599.31 g/mol |
| LogP | 4.4197 |
| Topological Polar Surface Area | 142.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 599.30945 |
| Heavy Atoms | 43 |
| Complexity | 1210.6187 |
Chemical Identifiers
| CAS Number | 51733-49-4 |
|---|---|
| SMILES | CCCC(=O)O[C@H]\1C/C=C(\C=C/[C@H](C[C@@H]2[C@H](C(=O)[C@]([C@@H](/C=C(\C=C1)/C)NC(=O)C(=O)C)(C(=O)O2)C)C)OC(=O)CCC)/C |
Product Overview
RefChem:1080307 (CAS 51733-49-4), with molecular formula C33H45NO9 and molecular weight 599.31 g/mol. IUPAC: [(1S,2R,3Z,5Z,7S,9Z,11Z,13S,15R,19R)-13-butanoyloxy-1,4,10,19-tetramethyl-17,18-dioxo-2-(2-oxopropanoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-7-yl] butanoate.
Chemical Property Profile of RefChem:1080307
Property Insights of RefChem:1080307
The XLogP value of 4.4197 indicates that RefChem:1080307 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.14 Ų indicates high polarity, suggesting RefChem:1080307 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1080307 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1080307?
The CAS number of RefChem:1080307 is 51733-49-4.
What is the molecular formula of RefChem:1080307?
The molecular formula of RefChem:1080307 is C33H45NO9.
What is the molecular weight of RefChem:1080307?
The molecular weight of RefChem:1080307 is 599.31 g/mol.
Where can I buy RefChem:1080307?
You can request a quote for RefChem:1080307 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080307?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080307 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.