AB00088652-01
TL;DR: AB00088652-01 (CAS 306279-02-7) is a chemical compound with molecular formula C23H22N2O5S and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AB00088652-01, methyl 2-((1-(furan-2-carboxamido)-2-oxo-2-phenylethyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, METHYL 2-({1-[(FURAN-2-YL)FORMAMIDO]-2-OXO-2-PHENYLETHYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-({1-[(furan-2-ylcarbonyl)amino]-2-oxo-2-phenylethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C23H22N2O5S |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 4.0574 |
| Topological Polar Surface Area | 97.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.12494 |
| Heavy Atoms | 31 |
| Complexity | 1088.8821 |
Chemical Identifiers
| CAS Number | 306279-02-7 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(C(=O)C3=CC=CC=C3)NC(=O)C4=CC=CO4 |
Product Overview
AB00088652-01 (CAS 306279-02-7), with molecular formula C23H22N2O5S and molecular weight 438.12 g/mol. IUPAC: methyl 2-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AB00088652-01
Property Insights of AB00088652-01
The XLogP value of 4.0574 indicates that AB00088652-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00088652-01. Following Lipinski's Rule of Five, AB00088652-01 has 2 hydrogen bond donor(s) and 7 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 AB00088652-01?
The CAS number of AB00088652-01 is 306279-02-7.
What is the molecular formula of AB00088652-01?
The molecular formula of AB00088652-01 is C23H22N2O5S.
What is the molecular weight of AB00088652-01?
The molecular weight of AB00088652-01 is 438.12 g/mol.
Where can I buy AB00088652-01?
You can request a quote for AB00088652-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00088652-01?
Yes, KEHONG BIO provides custom synthesis services for AB00088652-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.