软海绵酰胺
TL;DR: 软海绵酰胺 (CAS 113275-14-2) is a chemical compound with molecular formula C44H60N4O12 and molecular weight 836.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
软海绵酰胺
N-[11-(16-hydroxy-10-methoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl)-4,10-dimethoxy-5,9-dimethyl-6-oxoundec-1-enyl]-N-methylformamide
Also Known As: Halichondramide, N-[11-(16-Hydroxy-10-methoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl)-4,10-dimethoxy-5,9-dimethyl-6-oxoundec-1-enyl]-N-methylformamide, N-{11-[13-Hydroxy-19-methoxy-8,18-dimethyl-11,17-dioxo-10-oxa-1(2,4),2,3(4,2)-tri([1,3]oxazola)cyclononadecaphane-4,15-dien-9-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxoundec-1-en-1-yl}-N-methylformamide
| Molecular Formula | C44H60N4O12 |
|---|---|
| Molecular Weight | 836.42 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 14 |
| Exact Mass | 836.4208 |
| Heavy Atoms | 60 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 113275-14-2 |
|---|---|
| SMILES | CC1CCC=CC2=NC(=CO2)C3=NC(=CO3)C4=NC(=CO4)C(C(C(=O)C=CCC(CC(=O)OC1CC(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)O)C)OC |
| InChIKey | PHNAXDMXCYGYGB-UHFFFAOYSA-N |
Product Overview
软海绵酰胺 (CAS 113275-14-2), with molecular formula C44H60N4O12 and molecular weight 836.42 g/mol. IUPAC: N-[11-(16-hydroxy-10-methoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl)-4,10-dimethoxy-5,9-dimethyl-6-oxoundec-1-enyl]-N-methylformamide.
Chemical Property Profile of 软海绵酰胺
Property Insights of 软海绵酰胺
The XLogP value of 4.3 indicates that 软海绵酰胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 207.0 Ų indicates high polarity, suggesting 软海绵酰胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 软海绵酰胺 has 1 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 软海绵酰胺?
The CAS number of 软海绵酰胺 is 113275-14-2.
What is the molecular formula of 软海绵酰胺?
The molecular formula of 软海绵酰胺 is C44H60N4O12.
What is the molecular weight of 软海绵酰胺?
The molecular weight of 软海绵酰胺 is 836.42 g/mol.
Where can I buy 软海绵酰胺?
You can request a quote for 软海绵酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 软海绵酰胺?
Yes, KEHONG BIO provides custom synthesis services for 软海绵酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.