2-Guanidino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester
TL;DR: 2-Guanidino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester (CAS 405071-53-6) is a chemical compound with molecular formula C11H16N4O2S and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(diaminomethylideneamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
Also Known As: J1.636.507F, 2-guanidino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester, 2-Guanidino-4,5,6,7-tetrahydrobenzothiazole-4-carboxylic acid ethyl ester, ethyl 2-carbamimidamido-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate, 2-[(aminoiminomethyl)amino]-4,5,6,7-tetrahydro-4-Benzothiazolecarboxylic acid ethyl ester
| Molecular Formula | C11H16N4O2S |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 1.031 |
| Topological Polar Surface Area | 103.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0994 |
| Heavy Atoms | 18 |
| Complexity | 479.38782 |
Chemical Identifiers
| CAS Number | 405071-53-6 |
|---|---|
| SMILES | CCOC(=O)C1CCCC2=C1N=C(S2)N=C(N)N |
Product Overview
2-Guanidino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester (CAS 405071-53-6), with molecular formula C11H16N4O2S and molecular weight 268.10 g/mol. IUPAC: ethyl 2-(diaminomethylideneamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate.
Chemical Property Profile of 2-Guanidino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester
Property Insights of 2-Guanidino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester
The XLogP value of 1.031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Guanidino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester. The TPSA of 103.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Guanidino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 2-Guanidino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester has 2 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 2-Guanidino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester?
The CAS number of 2-Guanidino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester is 405071-53-6.
What is the molecular formula of 2-Guanidino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester?
The molecular formula of 2-Guanidino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester is C11H16N4O2S.
What is the molecular weight of 2-Guanidino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester?
The molecular weight of 2-Guanidino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester is 268.10 g/mol.
Where can I buy 2-Guanidino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester?
You can request a quote for 2-Guanidino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Guanidino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Guanidino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.