KM043
TL;DR: KM043 (CAS 207976-87-2) is a chemical compound with molecular formula C45H76O12S and molecular weight 840.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,4S,5R,6S)-6-[(2S)-2-hexadecanoyloxy-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
Also Known As: KM043, KM 043, ((2S,3S,4S,5R)-6-(2-hexadecanoyloxy-3-((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl)oxypropoxy)-3,4,5-trihydroxyoxan-2-yl)methanesulfonic acid, ((2S,3S,4S,5R,6S)-6-(2-HEXADECANOYLOXY-3-((5E,8E,11E,14E,17E)-ICOSA-5,8,11,14,17-PENTAENOYL)OXYPROPOXY)-3,4,5-TRIHYDROXYOXAN-2-YL)METHANESULFONIC ACID, (2S)-3-(((5E,8E,11E,14E,17E)-1-OXO-5,8,11,14,17-EICOSAPENTAEN-1-YL)OXY)-2-((1-OXOHEXADECYL)OXY)PROPYL 6-DEOXY-6-SULFO-.ALPHA.-D-GLUCOPYRANOSIDE
| Molecular Formula | C45H76O12S |
|---|---|
| Molecular Weight | 840.51 g/mol |
| LogP | 8.5564 |
| Topological Polar Surface Area | 186.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 35 |
| Exact Mass | 840.50574 |
| Heavy Atoms | 58 |
| Complexity | 1308.2225 |
Chemical Identifiers
| CAS Number | 207976-87-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)COC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC |
Product Overview
KM043 (CAS 207976-87-2), with molecular formula C45H76O12S and molecular weight 840.51 g/mol. IUPAC: [(2S,3S,4S,5R,6S)-6-[(2S)-2-hexadecanoyloxy-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid.
Chemical Property Profile of KM043
Property Insights of KM043
The XLogP value of 8.5564 indicates that KM043 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.12 Ų indicates high polarity, suggesting KM043 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KM043 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KM043?
The CAS number of KM043 is 207976-87-2.
What is the molecular formula of KM043?
The molecular formula of KM043 is C45H76O12S.
What is the molecular weight of KM043?
The molecular weight of KM043 is 840.51 g/mol.
Where can I buy KM043?
You can request a quote for KM043 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KM043?
Yes, KEHONG BIO provides custom synthesis services for KM043 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.