Sperabillin A
TL;DR: Sperabillin A (CAS 111337-87-2) is a chemical compound with molecular formula C15H29Cl2N5O3 and molecular weight 397.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5R)-3-amino-N-(3-amino-3-iminopropyl)-6-[[(2E,4Z)-hexa-2,4-dienoyl]amino]-5-hydroxyhexanamide;dihydrochloride
Also Known As: Sperabillin A, Sperabillin A (HCl), Sperabillin A dihydrochloride, Sperabillin A (dihydrochloride), HY-114585A
| Molecular Formula | C15H29Cl2N5O3 |
|---|---|
| Molecular Weight | 397.16 g/mol |
| LogP | -0.01083 |
| Topological Polar Surface Area | 154.32 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 397.16473 |
| Heavy Atoms | 25 |
| Complexity | 458.44778 |
Chemical Identifiers
| CAS Number | 111337-87-2 |
|---|---|
| SMILES | C/C=C\C=C\C(=O)NC[C@@H](C[C@H](CC(=O)NCCC(=N)N)N)O.Cl.Cl |
Product Overview
Sperabillin A (CAS 111337-87-2), with molecular formula C15H29Cl2N5O3 and molecular weight 397.16 g/mol. IUPAC: (3R,5R)-3-amino-N-(3-amino-3-iminopropyl)-6-[[(2E,4Z)-hexa-2,4-dienoyl]amino]-5-hydroxyhexanamide;dihydrochloride.
Chemical Property Profile of Sperabillin A
Property Insights of Sperabillin A
The XLogP value of -0.01083 indicates that Sperabillin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.32 Ų indicates high polarity, suggesting Sperabillin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sperabillin A has 6 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sperabillin A?
The CAS number of Sperabillin A is 111337-87-2.
What is the molecular formula of Sperabillin A?
The molecular formula of Sperabillin A is C15H29Cl2N5O3.
What is the molecular weight of Sperabillin A?
The molecular weight of Sperabillin A is 397.16 g/mol.
Where can I buy Sperabillin A?
You can request a quote for Sperabillin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sperabillin A?
Yes, KEHONG BIO provides custom synthesis services for Sperabillin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.