A3278/0139459
TL;DR: A3278/0139459 (CAS 386701-90-2) is a chemical compound with molecular formula C22H20N2O5S2 and molecular weight 456.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]benzoate
Also Known As: A3278/0139459, methyl 4-({[2-(thien-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}amino)benzoate, methyl 4-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]benzoate, methyl 4-[2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-amido]benzoate, methyl 4-{[2-(2-thienylsulfonyl)-3-1,2,3,4-tetrahydroisoquinolyl]carbonylamino }benzoate
| Molecular Formula | C22H20N2O5S2 |
|---|---|
| Molecular Weight | 456.08 g/mol |
| LogP | 3.289 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.08136 |
| Heavy Atoms | 31 |
| Complexity | 1204.963 |
Chemical Identifiers
| CAS Number | 386701-90-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4 |
Product Overview
A3278/0139459 (CAS 386701-90-2), with molecular formula C22H20N2O5S2 and molecular weight 456.08 g/mol. IUPAC: methyl 4-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]benzoate.
Chemical Property Profile of A3278/0139459
Property Insights of A3278/0139459
The XLogP value of 3.289 indicates that A3278/0139459 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for A3278/0139459. Following Lipinski's Rule of Five, A3278/0139459 has 1 hydrogen bond donor(s) and 6 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 A3278/0139459?
The CAS number of A3278/0139459 is 386701-90-2.
What is the molecular formula of A3278/0139459?
The molecular formula of A3278/0139459 is C22H20N2O5S2.
What is the molecular weight of A3278/0139459?
The molecular weight of A3278/0139459 is 456.08 g/mol.
Where can I buy A3278/0139459?
You can request a quote for A3278/0139459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3278/0139459?
Yes, KEHONG BIO provides custom synthesis services for A3278/0139459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.