畸形素A
TL;DR: 畸形素A (CAS 3022-92-2) is a chemical compound with molecular formula C23H39N5O5S2 and molecular weight 529.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
畸形素A
4-butan-2-yl-7-(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone
Also Known As: MALFORMIN A, Malformins, Malformin A1, Malformin, Lumogallion
| Molecular Formula | C23H39N5O5S2 |
|---|---|
| Molecular Weight | 529.24 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 529.23926 |
| Heavy Atoms | 35 |
| Complexity | 809.0 |
| Melting Point | 0 °C |
Chemical Identifiers
| CAS Number | 3022-92-2 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)C)NC2=O |
| InChIKey | RNCGDQLZIATDOU-UHFFFAOYSA-N |
Product Overview
畸形素A (CAS 3022-92-2), with molecular formula C23H39N5O5S2 and molecular weight 529.24 g/mol. IUPAC: 4-butan-2-yl-7-(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone.
Chemical Property Profile of 畸形素A
Property Insights of 畸形素A
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 畸形素A. The TPSA of 196.0 Ų indicates high polarity, suggesting 畸形素A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Malformins has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Malformins?
The CAS number of Malformins is 3022-92-2.
What is the molecular formula of Malformins?
The molecular formula of Malformins is C23H39N5O5S2.
What is the molecular weight of Malformins?
The molecular weight of Malformins is 529.24 g/mol.
Where can I buy Malformins?
You can request a quote for Malformins directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malformins?
Yes, KEHONG BIO provides custom synthesis services for Malformins and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.