Daphnodorin A
TL;DR: Daphnodorin A (CAS 95733-03-2) is a chemical compound with molecular formula C30H22O9 and molecular weight 526.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-5-hydroxy-2,8-bis(4-hydroxyphenyl)-3,4-dihydro-2H-furo[2,3-h]chromen-9-yl]-(2,4,6-trihydroxyphenyl)methanone
Also Known As: Daphnodorin A, DaphnodorinA, Furobenzopyran deriv., [(2S)-5-hydroxy-2,8-bis(4-hydroxyphenyl)-3,4-dihydro-2H-furo[2,3-h]chromen-9-yl]-(2,4,6-trihydroxyphenyl)methanone, (-)-(3,4-Dihydro-5-hydroxy-2,8-bis(4-hydroxyphenyl)-2H-furo(2,3-h)-1-benzopyran-9-yl)(2,4,6-trihydroxyphenyl)methanone
| Molecular Formula | C30H22O9 |
|---|---|
| Molecular Weight | 526.13 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 526.1264 |
| Heavy Atoms | 39 |
| Complexity | 841.0 |
Chemical Identifiers
| CAS Number | 95733-03-2 |
|---|---|
| SMILES | C1CC2=C(C3=C(C=C2O)OC(=C3C(=O)C4=C(C=C(C=C4O)O)O)C5=CC=C(C=C5)O)O[C@@H]1C6=CC=C(C=C6)O |
| InChIKey | SFIBBWQCUADULX-QHCPKHFHSA-N |
Product Overview
Daphnodorin A (CAS 95733-03-2), with molecular formula C30H22O9 and molecular weight 526.13 g/mol. IUPAC: [(2S)-5-hydroxy-2,8-bis(4-hydroxyphenyl)-3,4-dihydro-2H-furo[2,3-h]chromen-9-yl]-(2,4,6-trihydroxyphenyl)methanone.
Chemical Property Profile of Daphnodorin A
Property Insights of Daphnodorin A
The XLogP value of 5.6 indicates that Daphnodorin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting Daphnodorin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Daphnodorin A has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Daphnodorin A?
The CAS number of Daphnodorin A is 95733-03-2.
What is the molecular formula of Daphnodorin A?
The molecular formula of Daphnodorin A is C30H22O9.
What is the molecular weight of Daphnodorin A?
The molecular weight of Daphnodorin A is 526.13 g/mol.
Where can I buy Daphnodorin A?
You can request a quote for Daphnodorin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daphnodorin A?
Yes, KEHONG BIO provides custom synthesis services for Daphnodorin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.