Pradimicinone I
TL;DR: Pradimicinone I (CAS 116276-03-0) is a chemical compound with molecular formula C28H23NO11 and molecular weight 549.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
Also Known As: Pradimicinone I, 2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
| Molecular Formula | C28H23NO11 |
|---|---|
| Molecular Weight | 549.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 549.12714 |
| Heavy Atoms | 40 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 116276-03-0 |
|---|---|
| SMILES | CC1=CC2=C(C3=C(C4=C(C=C3[C@@H]([C@H]2O)O)C(=O)C5=C(C4=O)C=C(C=C5O)OC)O)C(=C1C(=O)NC(C)C(=O)O)O |
| InChIKey | MXDWXJYFRRURMW-BCGWSGGWSA-N |
Product Overview
Pradimicinone I (CAS 116276-03-0), with molecular formula C28H23NO11 and molecular weight 549.13 g/mol. IUPAC: 2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid.
Chemical Property Profile of Pradimicinone I
Property Insights of Pradimicinone I
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pradimicinone I. The TPSA of 211.0 Ų indicates high polarity, suggesting Pradimicinone I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pradimicinone I has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pradimicinone I?
The CAS number of Pradimicinone I is 116276-03-0.
What is the molecular formula of Pradimicinone I?
The molecular formula of Pradimicinone I is C28H23NO11.
What is the molecular weight of Pradimicinone I?
The molecular weight of Pradimicinone I is 549.13 g/mol.
Where can I buy Pradimicinone I?
You can request a quote for Pradimicinone I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pradimicinone I?
Yes, KEHONG BIO provides custom synthesis services for Pradimicinone I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.