KST-1A3604
TL;DR: KST-1A3604 (CAS 30158-51-1) is a chemical compound with molecular formula C13H26N2O4 and molecular weight 274.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(butan-2-ylcarbamoyloxymethyl)-2-methylpentyl]carbamic acid
Also Known As: KST-1A3604, sec-Butylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester), 2-(Hydroxymethyl)-2-methylpentyl sec-butylcarbamate carbamate (ester), (2-{[(butan-2-ylcarbamoyl)oxy]methyl}-2-methylpentyl)carbamic acid, Carbamic acid, sec-butyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)
| Molecular Formula | C13H26N2O4 |
|---|---|
| Molecular Weight | 274.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 274.18927 |
| Heavy Atoms | 19 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 30158-51-1 |
|---|---|
| SMILES | CCCC(C)(CNC(=O)O)COC(=O)NC(C)CC |
| InChIKey | RBXZOZRVBSQVSL-UHFFFAOYSA-N |
Product Overview
KST-1A3604 (CAS 30158-51-1), with molecular formula C13H26N2O4 and molecular weight 274.19 g/mol. IUPAC: [2-(butan-2-ylcarbamoyloxymethyl)-2-methylpentyl]carbamic acid.
Chemical Property Profile of KST-1A3604
Property Insights of KST-1A3604
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A3604. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A3604. Following Lipinski's Rule of Five, KST-1A3604 has 3 hydrogen bond donor(s) and 4 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 KST-1A3604?
The CAS number of KST-1A3604 is 30158-51-1.
What is the molecular formula of KST-1A3604?
The molecular formula of KST-1A3604 is C13H26N2O4.
What is the molecular weight of KST-1A3604?
The molecular weight of KST-1A3604 is 274.19 g/mol.
Where can I buy KST-1A3604?
You can request a quote for KST-1A3604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A3604?
Yes, KEHONG BIO provides custom synthesis services for KST-1A3604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.