根霉素
TL;DR: 根霉素 (CAS 12772-57-5) is a chemical compound with molecular formula C18H17ClO6 and molecular weight 364.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
根霉素
16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
Also Known As: radicicol, Monorden, Monorderne, Radisico, Monorden A
| Molecular Formula | C18H17ClO6 |
|---|---|
| Molecular Weight | 364.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 364.07138 |
| Heavy Atoms | 25 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 12772-57-5 |
|---|---|
| SMILES | CC1CC2C(O2)C=CC=CC(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1 |
| InChIKey | WYZWZEOGROVVHK-UHFFFAOYSA-N |
Product Overview
根霉素 (CAS 12772-57-5), with molecular formula C18H17ClO6 and molecular weight 364.07 g/mol. IUPAC: 16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione.
Chemical Property Profile of 根霉素
Property Insights of 根霉素
The XLogP value of 3.4 indicates that 根霉素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 根霉素. Following Lipinski's Rule of Five, 根霉素 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 根霉素?
The CAS number of 根霉素 is 12772-57-5.
What is the molecular formula of 根霉素?
The molecular formula of 根霉素 is C18H17ClO6.
What is the molecular weight of 根霉素?
The molecular weight of 根霉素 is 364.07 g/mol.
Where can I buy 根霉素?
You can request a quote for 根霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 根霉素?
Yes, KEHONG BIO provides custom synthesis services for 根霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.