Ambruticin
TL;DR: Ambruticin (CAS 58857-02-6) is a chemical compound with molecular formula C28H42O6 and molecular weight 474.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-[2-[2-[5-(6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl)-3-methylhexa-1,4-dienyl]-3-methylcyclopropyl]ethenyl]-4,5-dihydroxyoxan-2-yl]acetic acid
Also Known As: Ambruticin, 2-[6-[2-[2-[5-(6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl)-3-methylhexa-1,4-dienyl]-3-methylcyclopropyl]ethenyl]-4,5-dihydroxyoxan-2-yl]acetic acid
| Molecular Formula | C28H42O6 |
|---|---|
| Molecular Weight | 474.30 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 474.29813 |
| Heavy Atoms | 34 |
| Complexity | 827.0 |
Chemical Identifiers
| CAS Number | 58857-02-6 |
|---|---|
| SMILES | CCC1C(=CCC(O1)C(=CC(C)C=CC2C(C2C=CC3C(C(CC(O3)CC(=O)O)O)O)C)C)C |
| InChIKey | TYIXBSJXUFTELJ-UHFFFAOYSA-N |
Product Overview
Ambruticin (CAS 58857-02-6), with molecular formula C28H42O6 and molecular weight 474.30 g/mol. IUPAC: 2-[6-[2-[2-[5-(6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl)-3-methylhexa-1,4-dienyl]-3-methylcyclopropyl]ethenyl]-4,5-dihydroxyoxan-2-yl]acetic acid.
Chemical Property Profile of Ambruticin
Property Insights of Ambruticin
The XLogP value of 3.6 indicates that Ambruticin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ambruticin. Following Lipinski's Rule of Five, Ambruticin has 3 hydrogen bond donor(s) and 6 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 Ambruticin?
The CAS number of Ambruticin is 58857-02-6.
What is the molecular formula of Ambruticin?
The molecular formula of Ambruticin is C28H42O6.
What is the molecular weight of Ambruticin?
The molecular weight of Ambruticin is 474.30 g/mol.
Where can I buy Ambruticin?
You can request a quote for Ambruticin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ambruticin?
Yes, KEHONG BIO provides custom synthesis services for Ambruticin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.