Austalide B
TL;DR: Austalide B (CAS 81543-02-4) is a chemical compound with molecular formula C26H34O8 and molecular weight 474.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,4S,16R,17R,20S)-2-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-11-one
Also Known As: Austalide B, (-)-Austalide B, ACon0_000979, (1R,2R,4S,16R,17R,20S)-2-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-11-one, (3S)-1,2,3,6,7,7a,10,14,14abeta,14b-Decahydro-6alpha-hydroxy-3alpha,13-dimethoxy-5,5,7abeta,9,14balpha-pentamethyl-12H-3beta,5abeta-epoxy-5H-furo[3,4-i]oxepino[4,3-a]xanthen-12-one
| Molecular Formula | C26H34O8 |
|---|---|
| Molecular Weight | 474.23 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 474.22537 |
| Heavy Atoms | 34 |
| Complexity | 892.0 |
Chemical Identifiers
| CAS Number | 81543-02-4 |
|---|---|
| SMILES | CC1=C2COC(=O)C2=C(C3=C1O[C@]4(C[C@H]([C@@]56[C@@]([C@H]4C3)(CC[C@@](O5)(OC6(C)C)OC)C)O)C)OC |
| InChIKey | ZVFMDVFPBVFGPG-BLQNBILZSA-N |
Product Overview
Austalide B (CAS 81543-02-4), with molecular formula C26H34O8 and molecular weight 474.23 g/mol. IUPAC: (1R,2R,4S,16R,17R,20S)-2-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-11-one.
Chemical Property Profile of Austalide B
Property Insights of Austalide B
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Austalide B. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Austalide B. Following Lipinski's Rule of Five, Austalide B has 1 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 Austalide B?
The CAS number of Austalide B is 81543-02-4.
What is the molecular formula of Austalide B?
The molecular formula of Austalide B is C26H34O8.
What is the molecular weight of Austalide B?
The molecular weight of Austalide B is 474.23 g/mol.
Where can I buy Austalide B?
You can request a quote for Austalide B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Austalide B?
Yes, KEHONG BIO provides custom synthesis services for Austalide B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.