Austocystin I
TL;DR: Austocystin I (CAS 58775-51-2) is a chemical compound with molecular formula C18H12O7 and molecular weight 340.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,8R)-4,18-dihydroxy-2-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
Also Known As: Austocystin I, Dodecanoic acid,12-[(4-azido-2-nitrophenyl)amino], (4R,8R)-4,18-dihydroxy-2-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one, (3aR)-3a,12aalpha-Dihydro-3a,6-dihydroxy-4-methoxy-5H-furo[3',2', 3a,6-Dihydroxy-4-methoxy-3a,12a-dihydro-5H-furo[3',2':4,5]furo[3,2-b]xanthen-5-one
| Molecular Formula | C18H12O7 |
|---|---|
| Molecular Weight | 340.06 g/mol |
| LogP | 2.1104 |
| Topological Polar Surface Area | 98.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 340.0583 |
| Heavy Atoms | 25 |
| Complexity | 1143.809 |
Chemical Identifiers
| CAS Number | 58775-51-2 |
|---|---|
| SMILES | COC1=C2C(=CC3=C1[C@@]4(C=CO[C@@H]4O3)O)OC5=CC=CC(=C5C2=O)O |
Product Overview
Austocystin I (CAS 58775-51-2), with molecular formula C18H12O7 and molecular weight 340.06 g/mol. IUPAC: (4R,8R)-4,18-dihydroxy-2-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one.
Chemical Property Profile of Austocystin I
Property Insights of Austocystin I
The XLogP value of 2.1104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Austocystin I. The TPSA of 98.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Austocystin I. Following Lipinski's Rule of Five, Austocystin I has 2 hydrogen bond donor(s) and 7 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 Austocystin I?
The CAS number of Austocystin I is 58775-51-2.
What is the molecular formula of Austocystin I?
The molecular formula of Austocystin I is C18H12O7.
What is the molecular weight of Austocystin I?
The molecular weight of Austocystin I is 340.06 g/mol.
Where can I buy Austocystin I?
You can request a quote for Austocystin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Austocystin I?
Yes, KEHONG BIO provides custom synthesis services for Austocystin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.