Pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate
TL;DR: Pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate (CAS 76970-78-0) is a chemical compound with molecular formula C16H27N3O2S and molecular weight 325.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate
Also Known As: 1-Amino-1-benzyloxycarbonyl-cyclopentan, pentyl 5-amino-2-[(cyclohexylmethyl)amino]-1,3-thiazole-4-carboxylate, pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate, pentyl 5-amino-2-((cyclohexylmethyl)amino)thiazole-4-carboxylate, Pentyl 5-amino-2-[(cyclohexylmethyl)imino]-2,3-dihydro-1,3-thiazole-4-carboxylate
| Molecular Formula | C16H27N3O2S |
|---|---|
| Molecular Weight | 325.18 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 325.1824 |
| Heavy Atoms | 22 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 76970-78-0 |
|---|---|
| SMILES | CCCCCOC(=O)C1=C(SC(=N1)NCC2CCCCC2)N |
| InChIKey | XZCMAHGHAQPBIH-UHFFFAOYSA-N |
Product Overview
Pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate (CAS 76970-78-0), with molecular formula C16H27N3O2S and molecular weight 325.18 g/mol. IUPAC: pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate.
Chemical Property Profile of Pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate
Property Insights of Pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate
The XLogP value of 5.8 indicates that Pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate. Following Lipinski's Rule of Five, Pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate?
The CAS number of Pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate is 76970-78-0.
What is the molecular formula of Pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate?
The molecular formula of Pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate is C16H27N3O2S.
What is the molecular weight of Pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate?
The molecular weight of Pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate is 325.18 g/mol.
Where can I buy Pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate?
You can request a quote for Pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 5-amino-2-(cyclohexylmethylamino)-1,3-thiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.