Crambescidin 816
TL;DR: Crambescidin 816 (CAS 1570-75-8) is a chemical compound with molecular formula C45H80N6O7 and molecular weight 816.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: Crambescidin 816, 16-[(4-amino-2-hydroxybutyl)(3-aminopropyl)amino]-16-oxohexadecyl 7-ethyl-2a'-hydroxy-6''-methyl-1',2',2a',3',3'',4,4'',5'',6'',7,8',8a'-dodecahydro-3h,6'h-dispiro[oxepine-2,7'-[5,6,8b]triazaacenaphthylene-4',2''-pyran]-3'-carboxylate, 16-[(4-Amino-2-hydroxybutyl)(3-aminopropyl)amino]-16-oxohexadecyl 7''-ethyl-2'a-hydroxy-6-methyl-1',2',2'a,3',4'',7'',8',8'a-octahydro-3''H,5'H-dispiro[oxane-2,4'-[5,6,8b]triazaacenaphthylene-7',2''-oxepine]-3'-carboxylate, Dispiro(oxepin-2(3H),4'-(4H-5,6,8b)triazaacenaphthylene-7'(5'H),2''-(2H)pyran)-8'-carboxylic acid, 7-ethyl-1',2',2'a,3',3'',4,4'',5'',6'',7,8',8'a-dodecahydro-8'a-hydroxy-6''-methyl-, 16-((4-amino-2-hydroxybutyl)(3-aminopropyl)amino)-16-oxohexadecyl ester, (2'aS-(2'aalpha,4'alpha(R*),7'alpha(S*),8'beta(R*),8'aalpha))-
| Molecular Formula | C45H80N6O7 |
|---|---|
| Molecular Weight | 816.61 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 26 |
| Exact Mass | 816.6088 |
| Heavy Atoms | 58 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 1570-75-8 |
|---|---|
| SMILES | CCC1C=CCCC2(O1)CC3CCC4(N3C(=NC5(C4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CC(CCN)O)CCCC(O5)C)N2)O |
| InChIKey | DFDTZECTHJFPHE-UHFFFAOYSA-N |
Product Overview
Crambescidin 816 (CAS 1570-75-8), with molecular formula C45H80N6O7 and molecular weight 816.61 g/mol.
Chemical Property Profile of Crambescidin 816
Property Insights of Crambescidin 816
The XLogP value of 6.7 indicates that Crambescidin 816 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.0 Ų indicates high polarity, suggesting Crambescidin 816 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Crambescidin 816 has 5 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 Crambescidin 816?
The CAS number of Crambescidin 816 is 1570-75-8.
What is the molecular formula of Crambescidin 816?
The molecular formula of Crambescidin 816 is C45H80N6O7.
What is the molecular weight of Crambescidin 816?
The molecular weight of Crambescidin 816 is 816.61 g/mol.
Where can I buy Crambescidin 816?
You can request a quote for Crambescidin 816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crambescidin 816?
Yes, KEHONG BIO provides custom synthesis services for Crambescidin 816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.