4-Methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene
TL;DR: 4-Methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene (CAS 125089-02-3) is a chemical compound with molecular formula C7H11NO2S and molecular weight 173.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-3-methyl-2,3-dihydrothiophene-5-carboxylate
Also Known As: Methyl 3-amino-4-methyl-4,5-dihydrothiophene-2-carboxylate, 4-METHYL-3-AMINO-2-(METHOXYCARBONYL)-4,5-DIHYDROTHIOPHENE, methyl 4-amino-3-methyl-2,3-dihydrothiophene-5-carboxylate, 2,2,2-Trichloroethyl-2-fluoroacrylate, s10373
| Molecular Formula | C7H11NO2S |
|---|---|
| Molecular Weight | 173.05 g/mol |
| LogP | 0.7126 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.05106 |
| Heavy Atoms | 11 |
| Complexity | 212.48611 |
Chemical Identifiers
| CAS Number | 125089-02-3 |
|---|---|
| SMILES | CC1CSC(=C1N)C(=O)OC |
Product Overview
4-Methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene (CAS 125089-02-3), with molecular formula C7H11NO2S and molecular weight 173.05 g/mol. IUPAC: methyl 4-amino-3-methyl-2,3-dihydrothiophene-5-carboxylate.
Chemical Property Profile of 4-Methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene
Property Insights of 4-Methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene
The XLogP value of 0.7126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene. With a topological polar surface area (TPSA) of 52.32 Ų, 4-Methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene has 1 hydrogen bond donor(s) and 4 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 4-Methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene?
The CAS number of 4-Methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene is 125089-02-3.
What is the molecular formula of 4-Methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene?
The molecular formula of 4-Methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene is C7H11NO2S.
What is the molecular weight of 4-Methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene?
The molecular weight of 4-Methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene is 173.05 g/mol.
Where can I buy 4-Methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene?
You can request a quote for 4-Methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-amino-2-(methoxycarbonyl)-4,5-dihydrothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.