KST-1A0814
TL;DR: KST-1A0814 (CAS 118993-30-9) is a chemical compound with molecular formula C7H12ClNO6S and molecular weight 273.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,4-trimethyldioxetan-3-yl)methyl N-chlorosulfonylcarbamate
Also Known As: KST-1A0814, (3,4,4-trimethyldioxetan-3-yl)methyl N-chlorosulfonylcarbamate, (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl(chlorosulfonyl)carbamate, Carbamic acid, (chlorosulfonyl)-, (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester, Phosphonothioic diamide,P-methyl-N,N'-bis(1-methylpropyl)
| Molecular Formula | C7H12ClNO6S |
|---|---|
| Molecular Weight | 273.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.0074 |
| Heavy Atoms | 16 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 118993-30-9 |
|---|---|
| SMILES | CC1(C(OO1)(C)COC(=O)NS(=O)(=O)Cl)C |
| InChIKey | JPOWIZMFXOPYND-UHFFFAOYSA-N |
Product Overview
KST-1A0814 (CAS 118993-30-9), with molecular formula C7H12ClNO6S and molecular weight 273.01 g/mol. IUPAC: (3,4,4-trimethyldioxetan-3-yl)methyl N-chlorosulfonylcarbamate.
Chemical Property Profile of KST-1A0814
Property Insights of KST-1A0814
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A0814. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A0814. Following Lipinski's Rule of Five, KST-1A0814 has 1 hydrogen bond donor(s) and 6 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-1A0814?
The CAS number of KST-1A0814 is 118993-30-9.
What is the molecular formula of KST-1A0814?
The molecular formula of KST-1A0814 is C7H12ClNO6S.
What is the molecular weight of KST-1A0814?
The molecular weight of KST-1A0814 is 273.01 g/mol.
Where can I buy KST-1A0814?
You can request a quote for KST-1A0814 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A0814?
Yes, KEHONG BIO provides custom synthesis services for KST-1A0814 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.