Beticolin 1
TL;DR: Beticolin 1 (CAS 142633-47-4) is a chemical compound with molecular formula C31H23ClO13 and molecular weight 638.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-chloro-5,7,12,20,22,25-hexahydroxy-30-methyl-9,18,27-trioxo-14,29-dioxaoctacyclo[15.10.3.01,19.03,16.06,15.08,13.021,26.028,30]triaconta-3(16),4,6(15),7,19,21,23,25-octaene-13-carboxylate
Also Known As: Beticolin 1, Cebetin A, methyl 4-chloro-5,7,12,20,22,25-hexahydroxy-30-methyl-9,18,27-trioxo-14,29-dioxaoctacyclo[15.10.3.01,19.03,16.06,15.08,13.021,26.028,30]triaconta-3(16),4,6(15),7,19,21,23,25-octaene-13-carboxylate, 17aH-8a,16-endo-Oxiranonaphtho(2',3':5,6)cyclohepta(1,2-c)xanthene-17a-carboxylic acid, 7-chloro-1,2,3,5,8,9,15,16-octahydro-1,4,6,10,13,14-hexahydroxy-18-methyl-5,9,15-trioxo-, methyl ester, (1S-(1alpha,8aalpha,16alpha,17aalpha,18S*,20R*))-
| Molecular Formula | C31H23ClO13 |
|---|---|
| Molecular Weight | 638.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 2 |
| Exact Mass | 638.0827 |
| Heavy Atoms | 45 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 142633-47-4 |
|---|---|
| SMILES | CC12C3C4=C(CC5(C1O2)C(=C(C6=C(C=CC(=C6C5=O)O)O)O)C3=O)C(=C(C7=C4OC8(C(CCC(=O)C8=C7O)O)C(=O)OC)O)Cl |
| InChIKey | CLUNURVHNUJGKK-UHFFFAOYSA-N |
Product Overview
Beticolin 1 (CAS 142633-47-4), with molecular formula C31H23ClO13 and molecular weight 638.08 g/mol. IUPAC: methyl 4-chloro-5,7,12,20,22,25-hexahydroxy-30-methyl-9,18,27-trioxo-14,29-dioxaoctacyclo[15.10.3.01,19.03,16.06,15.08,13.021,26.028,30]triaconta-3(16),4,6(15),7,19,21,23,25-octaene-13-carboxylate.
Chemical Property Profile of Beticolin 1
Property Insights of Beticolin 1
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Beticolin 1. The TPSA of 221.0 Ų indicates high polarity, suggesting Beticolin 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Beticolin 1 has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Beticolin 1?
The CAS number of Beticolin 1 is 142633-47-4.
What is the molecular formula of Beticolin 1?
The molecular formula of Beticolin 1 is C31H23ClO13.
What is the molecular weight of Beticolin 1?
The molecular weight of Beticolin 1 is 638.08 g/mol.
Where can I buy Beticolin 1?
You can request a quote for Beticolin 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Beticolin 1?
Yes, KEHONG BIO provides custom synthesis services for Beticolin 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.