A2671/0113802
TL;DR: A2671/0113802 (CAS 447449-29-8) is a chemical compound with molecular formula C18H17BrClNO4S and molecular weight 456.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: A2671/0113802, methyl 2-{[(2-bromo-4-chlorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-(2-bromo-4-chlorophenoxy)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, METHYL 2-[2-(2-BROMO-4-CHLOROPHENOXY)ACETAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C18H17BrClNO4S |
|---|---|
| Molecular Weight | 456.98 g/mol |
| LogP | 4.8469 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.975 |
| Heavy Atoms | 26 |
| Complexity | 851.9569 |
Chemical Identifiers
| CAS Number | 447449-29-8 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=C(C=C(C=C3)Cl)Br |
Product Overview
A2671/0113802 (CAS 447449-29-8), with molecular formula C18H17BrClNO4S and molecular weight 456.98 g/mol. IUPAC: methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of A2671/0113802
Property Insights of A2671/0113802
The XLogP value of 4.8469 indicates that A2671/0113802 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for A2671/0113802. Following Lipinski's Rule of Five, A2671/0113802 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 A2671/0113802?
The CAS number of A2671/0113802 is 447449-29-8.
What is the molecular formula of A2671/0113802?
The molecular formula of A2671/0113802 is C18H17BrClNO4S.
What is the molecular weight of A2671/0113802?
The molecular weight of A2671/0113802 is 456.98 g/mol.
Where can I buy A2671/0113802?
You can request a quote for A2671/0113802 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2671/0113802?
Yes, KEHONG BIO provides custom synthesis services for A2671/0113802 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.