melleolide D
TL;DR: melleolide D (CAS 101922-80-9) is a chemical compound with molecular formula C24H31ClO8 and molecular weight 482.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,2aS,4aR,7R,7aS,7bR)-2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
Also Known As: melleolide D, J2.786.969F, [(2R,2aS,4aR,7R,7aS,7bR)-2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate, ((2R,2aS,4aR,7R,7aS,7bR)-2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta(e)inden-2-yl) 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate, (2R,2AS,4AR,7R,7AS,7BR)-2A,4A,7-TRIHYDROXY-3-(HYDROXYMETHYL)-6,6,7B-TRIMETHYL-1H,2H,2AH,4AH,5H,6H,7H,7AH,7BH-CYCLOBUTA[E]INDEN-2-YL 3-CHLORO-6-HYDROXY-4-METHOXY-2-METHYLBENZOATE
| Molecular Formula | C24H31ClO8 |
|---|---|
| Molecular Weight | 482.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.17075 |
| Heavy Atoms | 33 |
| Complexity | 846.0 |
Chemical Identifiers
| CAS Number | 101922-80-9 |
|---|---|
| SMILES | CC1=C(C(=CC(=C1Cl)OC)O)C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@]4([C@@H]3[C@H](C(C4)(C)C)O)O)CO)O)C |
| InChIKey | PSCSRVBGZZBKIW-IQEKTTGQSA-N |
Product Overview
melleolide D (CAS 101922-80-9), with molecular formula C24H31ClO8 and molecular weight 482.17 g/mol. IUPAC: [(2R,2aS,4aR,7R,7aS,7bR)-2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate.
Chemical Property Profile of melleolide D
Property Insights of melleolide D
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for melleolide D. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for melleolide D. Following Lipinski's Rule of Five, melleolide D has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of melleolide D?
The CAS number of melleolide D is 101922-80-9.
What is the molecular formula of melleolide D?
The molecular formula of melleolide D is C24H31ClO8.
What is the molecular weight of melleolide D?
The molecular weight of melleolide D is 482.17 g/mol.
Where can I buy melleolide D?
You can request a quote for melleolide D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for melleolide D?
Yes, KEHONG BIO provides custom synthesis services for melleolide D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.