C40H52N2O12
TL;DR: C40H52N2O12 (CAS 17555-82-7) is a chemical compound with molecular formula C40H52N2O12 and molecular weight 752.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9E,19E,21E)-26-(cyclopropylamino)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl] acetate
Also Known As: 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 8-(cyclopropylamino)-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate
| Molecular Formula | C40H52N2O12 |
|---|---|
| Molecular Weight | 752.35 g/mol |
| LogP | 5.32842 |
| Topological Polar Surface Area | 213.34 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 752.35205 |
| Heavy Atoms | 54 |
| Complexity | 1916.2693 |
Chemical Identifiers
| CAS Number | 17555-82-7 |
|---|---|
| SMILES | CC1/C=C/C=C(/C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=C2NC5CC5)O)O)\C |
Product Overview
C40H52N2O12 (CAS 17555-82-7), with molecular formula C40H52N2O12 and molecular weight 752.35 g/mol. IUPAC: [(9E,19E,21E)-26-(cyclopropylamino)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl] acetate.
Chemical Property Profile of C40H52N2O12
Property Insights of C40H52N2O12
The XLogP value of 5.32842 indicates that C40H52N2O12 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 213.34 Ų indicates high polarity, suggesting C40H52N2O12 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C40H52N2O12 has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C40H52N2O12?
The CAS number of C40H52N2O12 is 17555-82-7.
What is the molecular formula of C40H52N2O12?
The molecular formula of C40H52N2O12 is C40H52N2O12.
What is the molecular weight of C40H52N2O12?
The molecular weight of C40H52N2O12 is 752.35 g/mol.
Where can I buy C40H52N2O12?
You can request a quote for C40H52N2O12 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C40H52N2O12?
Yes, KEHONG BIO provides custom synthesis services for C40H52N2O12 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.