PRUNUS INHIBITOR A
TL;DR: PRUNUS INHIBITOR A (CAS 82765-89-7) is a chemical compound with molecular formula C30H24O10 and molecular weight 544.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,5R,6R,13R)-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
Also Known As: PRUNUS INHIBITOR A, 8,14-Methano-2H,14H-1-benzopyrano(7,8-d)(1,3)benzodioxocin-3,5,11,13,15-pentol, 3,4-dihydro-2,8-bis(4-hydroxyphenyl)-, (2R,3R,8R,14S,15S)-, (2R,3R,8R,14S)-2,8-Bis(4-hydroxyphenyl)-3,4-dihydro-2H,8H,14H-8,14-methano-1,7,9-trioxabenzo[6,7]cycloocta[1,2-a]naphthalene-3,5,11,13,15-pentol, 2,8-Bis(4-hydroxyphenyl)-3,4-dihydro-2H,8H,14H-8,14-methano-1,7,9-trioxabenzo[6,7]cycloocta[1,2-a]naphthalene-3,5,11,13,15-pentol
| Molecular Formula | C30H24O10 |
|---|---|
| Molecular Weight | 544.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 544.13696 |
| Heavy Atoms | 40 |
| Complexity | 905.0 |
Chemical Identifiers
| CAS Number | 82765-89-7 |
|---|---|
| SMILES | C1[C@H]([C@H](OC2=C1C(=CC3=C2[C@H]4C([C@@](O3)(OC5=CC(=CC(=C45)O)O)C6=CC=C(C=C6)O)O)O)C7=CC=C(C=C7)O)O |
| InChIKey | LQRHGTVFFPMWCG-DFRNNGSQSA-N |
Product Overview
PRUNUS INHIBITOR A (CAS 82765-89-7), with molecular formula C30H24O10 and molecular weight 544.14 g/mol. IUPAC: (1S,5R,6R,13R)-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol.
Chemical Property Profile of PRUNUS INHIBITOR A
Property Insights of PRUNUS INHIBITOR A
The XLogP value of 3.1 indicates that PRUNUS INHIBITOR A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting PRUNUS INHIBITOR A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PRUNUS INHIBITOR A has 7 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 PRUNUS INHIBITOR A?
The CAS number of PRUNUS INHIBITOR A is 82765-89-7.
What is the molecular formula of PRUNUS INHIBITOR A?
The molecular formula of PRUNUS INHIBITOR A is C30H24O10.
What is the molecular weight of PRUNUS INHIBITOR A?
The molecular weight of PRUNUS INHIBITOR A is 544.14 g/mol.
Where can I buy PRUNUS INHIBITOR A?
You can request a quote for PRUNUS INHIBITOR A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PRUNUS INHIBITOR A?
Yes, KEHONG BIO provides custom synthesis services for PRUNUS INHIBITOR A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.