Sciadenine
TL;DR: Sciadenine (CAS 59043-23-1) is a chemical compound with molecular formula C37H40N2O6 and molecular weight 608.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,19,20-trimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13(35),14,16(34),18(33),19,21,28,31-dodecaen-4-ol
Also Known As: KTAONUHTYCZKBS-UHFFFAOYSA-, O(C)c1c(OC)cc2CCN(C)C3Cc4ccc(cc4)Oc5c(O)c(OC)cc6CCN(C)C(Cc7ccc(cc7)Oc1c23)c56, 1~6~,5~6~,5~7~-Trimethoxy-1~2~,5~2~-dimethyl-1~1~,1~2~,1~3~,1~4~,5~1~,5~2~,5~3~,5~4~-octahydro-4,8-dioxa-1(1,8),5(8,1)-diisoquinolina-3,7(1,4)-dibenzenacyclooctaphan-1~7~-ol, SCIADENINE
| Molecular Formula | C37H40N2O6 |
|---|---|
| Molecular Weight | 608.29 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 608.28864 |
| Heavy Atoms | 45 |
| Complexity | 955.0 |
Chemical Identifiers
| CAS Number | 59043-23-1 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)O)OC |
| InChIKey | KTAONUHTYCZKBS-UHFFFAOYSA-N |
Product Overview
Sciadenine (CAS 59043-23-1), with molecular formula C37H40N2O6 and molecular weight 608.29 g/mol. IUPAC: 5,19,20-trimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13(35),14,16(34),18(33),19,21,28,31-dodecaen-4-ol.
Chemical Property Profile of Sciadenine
Property Insights of Sciadenine
The XLogP value of 6.3 indicates that Sciadenine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Sciadenine. Following Lipinski's Rule of Five, Sciadenine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sciadenine?
The CAS number of Sciadenine is 59043-23-1.
What is the molecular formula of Sciadenine?
The molecular formula of Sciadenine is C37H40N2O6.
What is the molecular weight of Sciadenine?
The molecular weight of Sciadenine is 608.29 g/mol.
Where can I buy Sciadenine?
You can request a quote for Sciadenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sciadenine?
Yes, KEHONG BIO provides custom synthesis services for Sciadenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.