J2.131.557E
TL;DR: J2.131.557E (CAS 352702-71-7) is a chemical compound with molecular formula C13H17NO3S and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: J2.131.557E, methyl 2-(acetylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-acetamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-(acetylamino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carbox ylate, METHYL 2-ACETAMIDO-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C13H17NO3S |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.762 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.09293 |
| Heavy Atoms | 18 |
| Complexity | 478.82605 |
Chemical Identifiers
| CAS Number | 352702-71-7 |
|---|---|
| SMILES | CC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OC |
Product Overview
J2.131.557E (CAS 352702-71-7), with molecular formula C13H17NO3S and molecular weight 267.09 g/mol. IUPAC: methyl 2-acetamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of J2.131.557E
Property Insights of J2.131.557E
The XLogP value of 2.762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J2.131.557E. With a topological polar surface area (TPSA) of 55.4 Ų, J2.131.557E exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J2.131.557E 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 J2.131.557E?
The CAS number of J2.131.557E is 352702-71-7.
What is the molecular formula of J2.131.557E?
The molecular formula of J2.131.557E is C13H17NO3S.
What is the molecular weight of J2.131.557E?
The molecular weight of J2.131.557E is 267.09 g/mol.
Where can I buy J2.131.557E?
You can request a quote for J2.131.557E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.131.557E?
Yes, KEHONG BIO provides custom synthesis services for J2.131.557E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.