KST-1A3603
TL;DR: KST-1A3603 (CAS 30158-39-5) is a chemical compound with molecular formula C13H22N2O4 and molecular weight 270.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-methyl-2-(prop-2-ynylcarbamoyloxymethyl)hexyl]carbamic acid
Also Known As: KST-1A3603, 2-Propynylcarbamic acid 2-(hydroxymethyl)-3-methylhexyl ester carbamate (ester), (3-methyl-2-{[(prop-2-yn-1-ylcarbamoyl)oxy]methyl}hexyl)carbamic acid, Carbamic acid, 2-propynyl-, 2-(hydroxymethyl)-3-methylhexyl ester, carbamate (ester), [3-methyl-2-(prop-2-ynylcarbamoyloxymethyl)hexyl]carbamic acid
| Molecular Formula | C13H22N2O4 |
|---|---|
| Molecular Weight | 270.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 270.15796 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 30158-39-5 |
|---|---|
| SMILES | CCCC(C)C(CNC(=O)O)COC(=O)NCC#C |
| InChIKey | NRCAWZFRHVDGMR-UHFFFAOYSA-N |
Product Overview
KST-1A3603 (CAS 30158-39-5), with molecular formula C13H22N2O4 and molecular weight 270.16 g/mol. IUPAC: [3-methyl-2-(prop-2-ynylcarbamoyloxymethyl)hexyl]carbamic acid.
Chemical Property Profile of KST-1A3603
Property Insights of KST-1A3603
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A3603. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A3603. Following Lipinski's Rule of Five, KST-1A3603 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-1A3603?
The CAS number of KST-1A3603 is 30158-39-5.
What is the molecular formula of KST-1A3603?
The molecular formula of KST-1A3603 is C13H22N2O4.
What is the molecular weight of KST-1A3603?
The molecular weight of KST-1A3603 is 270.16 g/mol.
Where can I buy KST-1A3603?
You can request a quote for KST-1A3603 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A3603?
Yes, KEHONG BIO provides custom synthesis services for KST-1A3603 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.