Deacylpolymyxin B
TL;DR: Deacylpolymyxin B (CAS 76014-27-2) 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.
16-hydroxy-12-methoxy-5,7,9,21-tetraoxahexacyclo[11.8.0.02,10.03,8.04,6.015,20]henicosa-1,10,12,15,17,19-hexaen-14-one
Also Known As: Deacylpolymyxin B, Sterigmatocystin 1,2-oxide, Sterigmatocystin-1,2-epoxide, 16-Hydroxy-12-methoxy-5,7,9,21-tetraoxahexacyclo[11.8.0.02,10.03,8.04,6.015,20]henicosa-1,10,12,15,17,19-hexaen-14-one, 4-Hydroxy-6-methoxy-8a,9a,10a,10b-tetrahydro-5H-oxireno[4',5']furo[3',2':4,5]furo[2,3-c]xanthen-5-one
| Molecular Formula | C18H12O7 |
|---|---|
| Molecular Weight | 340.06 g/mol |
| LogP | 2.2176 |
| Topological Polar Surface Area | 90.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 340.0583 |
| Heavy Atoms | 25 |
| Complexity | 1131.908 |
Chemical Identifiers
| CAS Number | 76014-27-2 |
|---|---|
| SMILES | COC1=C2C(=C3C4C5C(O5)OC4OC3=C1)OC6=CC=CC(=C6C2=O)O |
Product Overview
Deacylpolymyxin B (CAS 76014-27-2), with molecular formula C18H12O7 and molecular weight 340.06 g/mol. IUPAC: 16-hydroxy-12-methoxy-5,7,9,21-tetraoxahexacyclo[11.8.0.02,10.03,8.04,6.015,20]henicosa-1,10,12,15,17,19-hexaen-14-one.
Chemical Property Profile of Deacylpolymyxin B
Property Insights of Deacylpolymyxin B
The XLogP value of 2.2176 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deacylpolymyxin B. The TPSA of 90.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Deacylpolymyxin B. Following Lipinski's Rule of Five, Deacylpolymyxin B has 1 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 Deacylpolymyxin B?
The CAS number of Deacylpolymyxin B is 76014-27-2.
What is the molecular formula of Deacylpolymyxin B?
The molecular formula of Deacylpolymyxin B is C18H12O7.
What is the molecular weight of Deacylpolymyxin B?
The molecular weight of Deacylpolymyxin B is 340.06 g/mol.
Where can I buy Deacylpolymyxin B?
You can request a quote for Deacylpolymyxin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deacylpolymyxin B?
Yes, KEHONG BIO provides custom synthesis services for Deacylpolymyxin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.