Dihydrokalafungin
TL;DR: Dihydrokalafungin (CAS 98392-26-8) is a chemical compound with molecular formula C16H14O6 and molecular weight 302.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1R,3S)-9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
Also Known As: Dihydrokalafungin, Nanaomycin A, ent-Nanaomycin A, DHKox, YS-02931K-beta
| Molecular Formula | C16H14O6 |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.07904 |
| Heavy Atoms | 22 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 98392-26-8 |
|---|---|
| SMILES | C[C@@H]1C2=C(C[C@H](O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O |
| InChIKey | ZCJHPTKRISJQTN-SFYZADRCSA-N |
Product Overview
Dihydrokalafungin (CAS 98392-26-8), with molecular formula C16H14O6 and molecular weight 302.08 g/mol. IUPAC: 2-[(1R,3S)-9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid.
Chemical Property Profile of Dihydrokalafungin
Property Insights of Dihydrokalafungin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydrokalafungin. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dihydrokalafungin. Following Lipinski's Rule of Five, Dihydrokalafungin has 2 hydrogen bond donor(s) and 6 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 Dihydrokalafungin?
The CAS number of Dihydrokalafungin is 98392-26-8.
What is the molecular formula of Dihydrokalafungin?
The molecular formula of Dihydrokalafungin is C16H14O6.
What is the molecular weight of Dihydrokalafungin?
The molecular weight of Dihydrokalafungin is 302.08 g/mol.
Where can I buy Dihydrokalafungin?
You can request a quote for Dihydrokalafungin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydrokalafungin?
Yes, KEHONG BIO provides custom synthesis services for Dihydrokalafungin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.