C42H56N3O12
TL;DR: C42H56N3O12 (CAS 17555-08-7) is a chemical compound with molecular formula C42H57N3O12 and molecular weight 795.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9E,19E,21E)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(4-methylpiperazin-1-yl)-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, 2,4,12,16,18,20,22-heptamethyl-5,6,9,17,19,21-hexahydroxy-23-methoxy- 8-(4-methyl-1-piperazinyl)-, 21-acetate, 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 2,4,12,16,18,20,22-heptamethyl-5,6,9,17,19,21-hexahydroxy-23-methoxy-8-(4-methyl-1-piperazinyl)-, 21-acetate
| Molecular Formula | C42H57N3O12 |
|---|---|
| Molecular Weight | 795.39 g/mol |
| LogP | 4.50592 |
| Topological Polar Surface Area | 207.79 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 3 |
| Exact Mass | 795.3942 |
| Heavy Atoms | 57 |
| Complexity | 1986.0865 |
Chemical Identifiers
| CAS Number | 17555-08-7 |
|---|---|
| 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(=C2N5CCN(CC5)C)O)O)\C |
Product Overview
C42H56N3O12 (CAS 17555-08-7), with molecular formula C42H57N3O12 and molecular weight 795.39 g/mol. IUPAC: [(9E,19E,21E)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(4-methylpiperazin-1-yl)-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 C42H56N3O12
Property Insights of C42H56N3O12
The XLogP value of 4.50592 indicates that C42H56N3O12 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 207.79 Ų indicates high polarity, suggesting C42H56N3O12 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C42H56N3O12 has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C42H56N3O12?
The CAS number of C42H56N3O12 is 17555-08-7.
What is the molecular formula of C42H56N3O12?
The molecular formula of C42H56N3O12 is C42H57N3O12.
What is the molecular weight of C42H56N3O12?
The molecular weight of C42H56N3O12 is 795.39 g/mol.
Where can I buy C42H56N3O12?
You can request a quote for C42H56N3O12 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C42H56N3O12?
Yes, KEHONG BIO provides custom synthesis services for C42H56N3O12 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.