1-(S)-Hydroxy-2-(S,S)-valylamidocyclobutane-1-acetic acid
TL;DR: 1-(S)-Hydroxy-2-(S,S)-valylamidocyclobutane-1-acetic acid (CAS 6336-51-2) is a chemical compound with molecular formula C11H20N2O4 and molecular weight 244.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1-hydroxycyclobutyl]acetic acid
Also Known As: Antibiotic X-1092, Sid 768839, KST-1A6894, 1-(S)-Hydroxy-2-(S,S)-valylamidocyclobutane-1-acetic acid, X-1092
| Molecular Formula | C11H20N2O4 |
|---|---|
| Molecular Weight | 244.14 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.1423 |
| Heavy Atoms | 17 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 6336-51-2 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@H]1CC[C@@]1(CC(=O)O)O)N |
| InChIKey | CDPFOFWZIQBLQF-ARENWVFISA-N |
Product Overview
1-(S)-Hydroxy-2-(S,S)-valylamidocyclobutane-1-acetic acid (CAS 6336-51-2), with molecular formula C11H20N2O4 and molecular weight 244.14 g/mol. IUPAC: 2-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1-hydroxycyclobutyl]acetic acid.
Chemical Property Profile of 1-(S)-Hydroxy-2-(S,S)-valylamidocyclobutane-1-acetic acid
Property Insights of 1-(S)-Hydroxy-2-(S,S)-valylamidocyclobutane-1-acetic acid
The XLogP value of -2.5 indicates that 1-(S)-Hydroxy-2-(S,S)-valylamidocyclobutane-1-acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(S)-Hydroxy-2-(S,S)-valylamidocyclobutane-1-acetic acid. Following Lipinski's Rule of Five, 1-(S)-Hydroxy-2-(S,S)-valylamidocyclobutane-1-acetic acid has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(S)-Hydroxy-2-(S,S)-valylamidocyclobutane-1-acetic acid?
The CAS number of 1-(S)-Hydroxy-2-(S,S)-valylamidocyclobutane-1-acetic acid is 6336-51-2.
What is the molecular formula of 1-(S)-Hydroxy-2-(S,S)-valylamidocyclobutane-1-acetic acid?
The molecular formula of 1-(S)-Hydroxy-2-(S,S)-valylamidocyclobutane-1-acetic acid is C11H20N2O4.
What is the molecular weight of 1-(S)-Hydroxy-2-(S,S)-valylamidocyclobutane-1-acetic acid?
The molecular weight of 1-(S)-Hydroxy-2-(S,S)-valylamidocyclobutane-1-acetic acid is 244.14 g/mol.
Where can I buy 1-(S)-Hydroxy-2-(S,S)-valylamidocyclobutane-1-acetic acid?
You can request a quote for 1-(S)-Hydroxy-2-(S,S)-valylamidocyclobutane-1-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(S)-Hydroxy-2-(S,S)-valylamidocyclobutane-1-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(S)-Hydroxy-2-(S,S)-valylamidocyclobutane-1-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.