Merpelan
TL;DR: Merpelan (CAS 12738-05-5) is a chemical compound with molecular formula C22H27N5O3S and molecular weight 441.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzothiazol-2-yl)-3-methylurea;3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
Also Known As: Merpelan, Urea, N-2-benzothiazolyl-N'-methyl-, mixt. with 3-cyclohexyl-6,7-dihydro-1H-cyclopentapyrimidine-2,4(3H,5H)-dione, 1-(1,3-benzothiazol-2-yl)-3-methylurea,3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione, 1-(1,3-benzothiazol-2-yl)-3-methylurea; 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione, N-(1,3-Benzothiazol-2-yl)-N'-methylurea--3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione (1/1)
| Molecular Formula | C22H27N5O3S |
|---|---|
| Molecular Weight | 441.18 g/mol |
| LogP | 3.5781 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 441.18347 |
| Heavy Atoms | 31 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 12738-05-5 |
|---|---|
| SMILES | CNC(=O)NC1=NC2=CC=CC=C2S1.C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O |
| InChIKey | UHUVFQIHZSXHIW-UHFFFAOYSA-N |
Product Overview
Merpelan (CAS 12738-05-5), with molecular formula C22H27N5O3S and molecular weight 441.18 g/mol. IUPAC: 1-(1,3-benzothiazol-2-yl)-3-methylurea;3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.
Chemical Property Profile of Merpelan
Property Insights of Merpelan
The XLogP value of 3.5781 indicates that Merpelan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Merpelan. Following Lipinski's Rule of Five, Merpelan has 3 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 Merpelan?
The CAS number of Merpelan is 12738-05-5.
What is the molecular formula of Merpelan?
The molecular formula of Merpelan is C22H27N5O3S.
What is the molecular weight of Merpelan?
The molecular weight of Merpelan is 441.18 g/mol.
Where can I buy Merpelan?
You can request a quote for Merpelan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Merpelan?
Yes, KEHONG BIO provides custom synthesis services for Merpelan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.