Kumulan
TL;DR: Kumulan (CAS 61583-33-3) is a chemical compound with molecular formula C14H19NO6S and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 5-nitrobenzene-1,3-dicarboxylate;sulfane
Also Known As: Kumulan, Siarkol N, Nitrothal-isopropyl-sulfur mixt., BAS 38501F, dipropan-2-yl 5-nitrobenzene-1,3-dicarboxylate; sulfane
| Molecular Formula | C14H19NO6S |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 2.84 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.09332 |
| Heavy Atoms | 22 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 61583-33-3 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C.S |
| InChIKey | VGGJASJGWBMXOG-UHFFFAOYSA-N |
Product Overview
Kumulan (CAS 61583-33-3), with molecular formula C14H19NO6S and molecular weight 329.09 g/mol. IUPAC: dipropan-2-yl 5-nitrobenzene-1,3-dicarboxylate;sulfane.
Chemical Property Profile of Kumulan
Property Insights of Kumulan
The XLogP value of 2.84 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Kumulan. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Kumulan. Following Lipinski's Rule of Five, Kumulan has 1 hydrogen bond donor(s) and 7 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 Kumulan?
The CAS number of Kumulan is 61583-33-3.
What is the molecular formula of Kumulan?
The molecular formula of Kumulan is C14H19NO6S.
What is the molecular weight of Kumulan?
The molecular weight of Kumulan is 329.09 g/mol.
Where can I buy Kumulan?
You can request a quote for Kumulan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kumulan?
Yes, KEHONG BIO provides custom synthesis services for Kumulan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.