beta-Rubromycin
TL;DR: beta-Rubromycin (CAS 27267-70-5) is a chemical compound with molecular formula C27H20O12 and molecular weight 536.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-8',10-dihydroxy-5',7'-dimethoxy-4',9,9'-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate
Also Known As: beta-Rubromycin, ?-Rubromycin, A-Rubromycin, EC-Rubromycin, tunicamycin VIII
| Molecular Formula | C27H20O12 |
|---|---|
| Molecular Weight | 536.10 g/mol |
| LogP | 2.7829 |
| Topological Polar Surface Area | 168.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 536.09546 |
| Heavy Atoms | 39 |
| Complexity | 1744.1333 |
Chemical Identifiers
| CAS Number | 27267-70-5 |
|---|---|
| SMILES | COC1=CC(=C(C2=C1C(=O)C3=C(C2=O)O[C@]4(C3)CCC5=C(O4)C(=C6C(=C5)C=C(OC6=O)C(=O)OC)O)O)OC |
Product Overview
beta-Rubromycin (CAS 27267-70-5), with molecular formula C27H20O12 and molecular weight 536.10 g/mol. IUPAC: methyl (2S)-8',10-dihydroxy-5',7'-dimethoxy-4',9,9'-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate.
Chemical Property Profile of beta-Rubromycin
Property Insights of beta-Rubromycin
The XLogP value of 2.7829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Rubromycin. The TPSA of 168.03 Ų indicates high polarity, suggesting beta-Rubromycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Rubromycin has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Rubromycin?
The CAS number of beta-Rubromycin is 27267-70-5.
What is the molecular formula of beta-Rubromycin?
The molecular formula of beta-Rubromycin is C27H20O12.
What is the molecular weight of beta-Rubromycin?
The molecular weight of beta-Rubromycin is 536.10 g/mol.
Where can I buy beta-Rubromycin?
You can request a quote for beta-Rubromycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Rubromycin?
Yes, KEHONG BIO provides custom synthesis services for beta-Rubromycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.