Chloroalbofungin
TL;DR: Chloroalbofungin (CAS 37891-66-0) is a chemical compound with molecular formula C27H23ClN2O9 and molecular weight 554.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-8-chloro-3,24,28-trihydroxy-21-methoxy-7-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),7,10,17,20(25),27-octaene-5,26-dione
Also Known As: Chloroalbofungin, Chloralbofungin, 1H-Xantheno(4',3',2':4,5)(1,3)benzodioxino(7,6-g)isoquinoline-14,17(2H,9H)-dione, 13-amino-11-chloro-3,4,8a,13-tetrahydro-1,15,16-trihydroxy-4-methoxy-12-methyl-, (1S-(1alpha,4alpha,8aalpha))-, 6-amino-8-chloro-3,24,28-trihydroxy-21-methoxy-7-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),7,10,17,20(25),27-octaene-5,26-dione, 13-Amino-11-chloro-1,15,16-trihydroxy-4-methoxy-12-methyl-3,4,8a,13-tetrahydro-1H,7H-[1]benzopyrano[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-14,17(2H,9H)-dione
| Molecular Formula | C27H23ClN2O9 |
|---|---|
| Molecular Weight | 554.11 g/mol |
| LogP | 3.34012 |
| Topological Polar Surface Area | 166.61 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 554.1092 |
| Heavy Atoms | 39 |
| Complexity | 1894.2418 |
Chemical Identifiers
| CAS Number | 37891-66-0 |
|---|---|
| SMILES | CC1=C(C2=C(C(=C3C(=C2)CC4C5=C3C(=C6C(=C5OCO4)OC7=C(C6=O)C(CCC7OC)O)O)O)C(=O)N1N)Cl |
Product Overview
Chloroalbofungin (CAS 37891-66-0), with molecular formula C27H23ClN2O9 and molecular weight 554.11 g/mol. IUPAC: 6-amino-8-chloro-3,24,28-trihydroxy-21-methoxy-7-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),7,10,17,20(25),27-octaene-5,26-dione.
Chemical Property Profile of Chloroalbofungin
Property Insights of Chloroalbofungin
The XLogP value of 3.34012 indicates that Chloroalbofungin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.61 Ų indicates high polarity, suggesting Chloroalbofungin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chloroalbofungin has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chloroalbofungin?
The CAS number of Chloroalbofungin is 37891-66-0.
What is the molecular formula of Chloroalbofungin?
The molecular formula of Chloroalbofungin is C27H23ClN2O9.
What is the molecular weight of Chloroalbofungin?
The molecular weight of Chloroalbofungin is 554.11 g/mol.
Where can I buy Chloroalbofungin?
You can request a quote for Chloroalbofungin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroalbofungin?
Yes, KEHONG BIO provides custom synthesis services for Chloroalbofungin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.