Kandelin A-1
TL;DR: Kandelin A-1 (CAS 88903-77-9) is a chemical compound with molecular formula C39H32O15 and molecular weight 740.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,10R)-2,10-bis(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-8-one
Also Known As: Kandelin A-1, Kandelin A1, Cinchonain-1a-(4beta->8)-catechin, Cinchonain-1a-(4beta 8)-catechin, J2.701.462C
| Molecular Formula | C39H32O15 |
|---|---|
| Molecular Weight | 740.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 267.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 4 |
| Exact Mass | 740.17413 |
| Heavy Atoms | 54 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 88903-77-9 |
|---|---|
| SMILES | C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC5=C4[C@H](CC(=O)O5)C6=CC(=C(C=C6)O)O)O)C7=CC(=C(C=C7)O)O)O)O)O)C8=CC(=C(C=C8)O)O)O |
| InChIKey | NWZBNZUABGSPSN-ZBBQFUFDSA-N |
Product Overview
Kandelin A-1 (CAS 88903-77-9), with molecular formula C39H32O15 and molecular weight 740.17 g/mol. IUPAC: (2R,3R,4S,10R)-2,10-bis(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-8-one.
Chemical Property Profile of Kandelin A-1
Property Insights of Kandelin A-1
The XLogP value of 3.2 indicates that Kandelin A-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 267.0 Ų indicates high polarity, suggesting Kandelin A-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kandelin A-1 has 11 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kandelin A-1?
The CAS number of Kandelin A-1 is 88903-77-9.
What is the molecular formula of Kandelin A-1?
The molecular formula of Kandelin A-1 is C39H32O15.
What is the molecular weight of Kandelin A-1?
The molecular weight of Kandelin A-1 is 740.17 g/mol.
Where can I buy Kandelin A-1?
You can request a quote for Kandelin A-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kandelin A-1?
Yes, KEHONG BIO provides custom synthesis services for Kandelin A-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.