Macrocarpal J
TL;DR: Macrocarpal J (CAS 179605-48-2) is a chemical compound with molecular formula C28H42O7 and molecular weight 490.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1-[(1S,4R,4aR,6R,8aS)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
Also Known As: Macrocarpal J, Macrocarpal I, 2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]acetic acid, 5-[1-[(1S,4R,4aR,6R,8aS)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde, 2,4,6-trihydroxy-5-[(1S)-1-[(4S)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]benzene-1,3-dicarbaldehyde
| Molecular Formula | C28H42O7 |
|---|---|
| Molecular Weight | 490.29 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.29306 |
| Heavy Atoms | 35 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 179605-48-2 |
|---|---|
| SMILES | CC(C)CC([C@@H]1CC[C@@]([C@H]2[C@]1(CC[C@H](C2)C(C)(C)O)C)(C)O)C3=C(C(=C(C(=C3O)C=O)O)C=O)O |
| InChIKey | PXQFFMATXFLUPK-FBWULOCESA-N |
Product Overview
Macrocarpal J (CAS 179605-48-2), with molecular formula C28H42O7 and molecular weight 490.29 g/mol. IUPAC: 5-[1-[(1S,4R,4aR,6R,8aS)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde.
Chemical Property Profile of Macrocarpal J
Property Insights of Macrocarpal J
The XLogP value of 5.3 indicates that Macrocarpal J is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Macrocarpal J. Following Lipinski's Rule of Five, Macrocarpal J has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Macrocarpal J?
The CAS number of Macrocarpal J is 179605-48-2.
What is the molecular formula of Macrocarpal J?
The molecular formula of Macrocarpal J is C28H42O7.
What is the molecular weight of Macrocarpal J?
The molecular weight of Macrocarpal J is 490.29 g/mol.
Where can I buy Macrocarpal J?
You can request a quote for Macrocarpal J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Macrocarpal J?
Yes, KEHONG BIO provides custom synthesis services for Macrocarpal J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.