Cancentrine
TL;DR: Cancentrine (CAS 29477-90-5) is a chemical compound with molecular formula C36H34N2O7 and molecular weight 606.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1'R,2'S,3R,5'S,13'R)-14-hydroxy-8',10,15-trimethoxy-14'-methylspiro[12-oxa-4-azapentacyclo[9.7.2.04,19.07,20.013,18]icosa-1(19),7(20),8,10,13(18),14,16-heptaene-3,4'-6-oxa-14-azapentacyclo[9.5.1.01,5.02,13.07,17]heptadeca-7,9,11(17)-triene]-2-one
Also Known As: Cancentrine, (1'R,4R,4aS,6aS,11bR)-6'-Hydroxy-5',8,8'-trimethoxy-3-methyl-1,2,3,4,4a,5,11',12'-octahydro-2'H,6aH-spiro[4,11-methano[1]benzofuro[3',2':2,3]cyclopenta[1,2-c]pyridine-6,1'-[7]oxa[12a]azacyclopenta[gh]pleiaden]-2'-one
| Molecular Formula | C36H34N2O7 |
|---|---|
| Molecular Weight | 606.24 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 606.2366 |
| Heavy Atoms | 45 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 29477-90-5 |
|---|---|
| SMILES | CN1CC[C@@]23[C@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@@H]3[C@]6(C4)C(=O)C7=C8N6CCC9=C8C(=C(C=C9)OC)OC1=C7C=CC(=C1O)OC |
| InChIKey | XWPPHGONALRWBY-DJGZAFAGSA-N |
Product Overview
Cancentrine (CAS 29477-90-5), with molecular formula C36H34N2O7 and molecular weight 606.24 g/mol. IUPAC: (1'R,2'S,3R,5'S,13'R)-14-hydroxy-8',10,15-trimethoxy-14'-methylspiro[12-oxa-4-azapentacyclo[9.7.2.04,19.07,20.013,18]icosa-1(19),7(20),8,10,13(18),14,16-heptaene-3,4'-6-oxa-14-azapentacyclo[9.5.1.01,5.02,13.07,17]heptadeca-7,9,11(17)-triene]-2-one.
Chemical Property Profile of Cancentrine
Property Insights of Cancentrine
The XLogP value of 4.8 indicates that Cancentrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Cancentrine. Following Lipinski's Rule of Five, Cancentrine has 1 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 Cancentrine?
The CAS number of Cancentrine is 29477-90-5.
What is the molecular formula of Cancentrine?
The molecular formula of Cancentrine is C36H34N2O7.
What is the molecular weight of Cancentrine?
The molecular weight of Cancentrine is 606.24 g/mol.
Where can I buy Cancentrine?
You can request a quote for Cancentrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cancentrine?
Yes, KEHONG BIO provides custom synthesis services for Cancentrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.