4-(Benzoylamino)tetrahydro-3-thienyl benzoate
TL;DR: 4-(Benzoylamino)tetrahydro-3-thienyl benzoate (CAS 30461-37-1) is a chemical compound with molecular formula C18H17NO3S and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4S)-4-benzamidothiolan-3-yl] benzoate
Also Known As: 4-(benzoylamino)tetrahydro-3-thienyl benzoate, [(3S,4S)-4-benzamidothiolan-3-yl] benzoate, 4-BENZAMIDOTHIOLAN-3-YL BENZOATE, BAS 00238825, AH-034/11366564
| Molecular Formula | C18H17NO3S |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 2.7574 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.09293 |
| Heavy Atoms | 23 |
| Complexity | 615.6808 |
Chemical Identifiers
| CAS Number | 30461-37-1 |
|---|---|
| SMILES | C1[C@H]([C@@H](CS1)OC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3 |
Product Overview
4-(Benzoylamino)tetrahydro-3-thienyl benzoate (CAS 30461-37-1), with molecular formula C18H17NO3S and molecular weight 327.09 g/mol. IUPAC: [(3S,4S)-4-benzamidothiolan-3-yl] benzoate.
Chemical Property Profile of 4-(Benzoylamino)tetrahydro-3-thienyl benzoate
Property Insights of 4-(Benzoylamino)tetrahydro-3-thienyl benzoate
The XLogP value of 2.7574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzoylamino)tetrahydro-3-thienyl benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, 4-(Benzoylamino)tetrahydro-3-thienyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzoylamino)tetrahydro-3-thienyl benzoate 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-(Benzoylamino)tetrahydro-3-thienyl benzoate?
The CAS number of 4-(Benzoylamino)tetrahydro-3-thienyl benzoate is 30461-37-1.
What is the molecular formula of 4-(Benzoylamino)tetrahydro-3-thienyl benzoate?
The molecular formula of 4-(Benzoylamino)tetrahydro-3-thienyl benzoate is C18H17NO3S.
What is the molecular weight of 4-(Benzoylamino)tetrahydro-3-thienyl benzoate?
The molecular weight of 4-(Benzoylamino)tetrahydro-3-thienyl benzoate is 327.09 g/mol.
Where can I buy 4-(Benzoylamino)tetrahydro-3-thienyl benzoate?
You can request a quote for 4-(Benzoylamino)tetrahydro-3-thienyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzoylamino)tetrahydro-3-thienyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzoylamino)tetrahydro-3-thienyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.