Sporidesmolide I
TL;DR: Sporidesmolide I (CAS 2900-38-1) is a chemical compound with molecular formula C33H58N4O8 and molecular weight 638.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,19-dimethyl-3,12-bis(2-methylpropyl)-6,9,15-tri(propan-2-yl)-1,10-dioxa-4,7,13,16-tetrazacycloicosane-2,5,8,11,14,17-hexone
Also Known As: Sporidesmolide I, NCI60_000519, 4,19-dimethyl-3,12-bis(2-methylpropyl)-6,9,15-tri(propan-2-yl)-1,10-dioxa-4,7,13,16-tetraazacycloicosane-2,5,8,11,14,17-hexone, 3,12-Diisobutyl-6,9,15-triisopropyl-4,19-dimethyl-1,10-dioxa-4,7,13,16-tetraazacycloicosane-2,5,8,11,14,17-hexone, 3,12-diisobutyl-6,9,15-triisopropyl-4,19-dimethyl-1,10-dioxa-4,7,13,16-tetrazacycloicosane-2,5,8,11,14,17-hexone
| Molecular Formula | C33H58N4O8 |
|---|---|
| Molecular Weight | 638.43 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 638.4255 |
| Heavy Atoms | 45 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 2900-38-1 |
|---|---|
| SMILES | CC1CC(=O)NC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)N(C(C(=O)OC1)CC(C)C)C)C(C)C)C(C)C)CC(C)C)C(C)C |
| InChIKey | CWCLCJUWNJYVCD-UHFFFAOYSA-N |
Product Overview
Sporidesmolide I (CAS 2900-38-1), with molecular formula C33H58N4O8 and molecular weight 638.43 g/mol. IUPAC: 4,19-dimethyl-3,12-bis(2-methylpropyl)-6,9,15-tri(propan-2-yl)-1,10-dioxa-4,7,13,16-tetrazacycloicosane-2,5,8,11,14,17-hexone.
Chemical Property Profile of Sporidesmolide I
Property Insights of Sporidesmolide I
The XLogP value of 5.6 indicates that Sporidesmolide I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.0 Ų indicates high polarity, suggesting Sporidesmolide I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sporidesmolide I has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sporidesmolide I?
The CAS number of Sporidesmolide I is 2900-38-1.
What is the molecular formula of Sporidesmolide I?
The molecular formula of Sporidesmolide I is C33H58N4O8.
What is the molecular weight of Sporidesmolide I?
The molecular weight of Sporidesmolide I is 638.43 g/mol.
Where can I buy Sporidesmolide I?
You can request a quote for Sporidesmolide I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sporidesmolide I?
Yes, KEHONG BIO provides custom synthesis services for Sporidesmolide I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.