AB00299538-02
TL;DR: AB00299538-02 (CAS 433972-61-3) is a chemical compound with molecular formula C18H26N2O3S and molecular weight 350.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AB00299538-02, AP-906/41303183, ethyl 6-methyl-2-[(1-pyrrolidinylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-methyl-2-(2-(pyrrolidin-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 6-methyl-2-(2-pyrrolidinylacetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophe ne-3-carboxylate
| Molecular Formula | C18H26N2O3S |
|---|---|
| Molecular Weight | 350.17 g/mol |
| LogP | 3.0839 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.1664 |
| Heavy Atoms | 24 |
| Complexity | 620.0252 |
Chemical Identifiers
| CAS Number | 433972-61-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3CCCC3 |
Product Overview
AB00299538-02 (CAS 433972-61-3), with molecular formula C18H26N2O3S and molecular weight 350.17 g/mol. IUPAC: ethyl 6-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AB00299538-02
Property Insights of AB00299538-02
The XLogP value of 3.0839 indicates that AB00299538-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, AB00299538-02 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00299538-02 has 1 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 AB00299538-02?
The CAS number of AB00299538-02 is 433972-61-3.
What is the molecular formula of AB00299538-02?
The molecular formula of AB00299538-02 is C18H26N2O3S.
What is the molecular weight of AB00299538-02?
The molecular weight of AB00299538-02 is 350.17 g/mol.
Where can I buy AB00299538-02?
You can request a quote for AB00299538-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00299538-02?
Yes, KEHONG BIO provides custom synthesis services for AB00299538-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.