AB00675579-01
TL;DR: AB00675579-01 (CAS 956756-63-1) is a chemical compound with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-benzyl-5-oxopyrazolidine-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AB00675579-01, methyl 2-{[(2-benzyl-5-oxopyrazolidin-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[(2-benzyl-5-oxopyrazolidine-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-{[5-oxo-2-benzylpyrazolidin-3-yl]carbonylamino}-4,5,6,7-tetrahydroben zo[b]thiophene-3-carboxylate
| Molecular Formula | C21H23N3O4S |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 2.6577 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.14093 |
| Heavy Atoms | 29 |
| Complexity | 940.9029 |
Chemical Identifiers
| CAS Number | 956756-63-1 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC(=O)NN3CC4=CC=CC=C4 |
Product Overview
AB00675579-01 (CAS 956756-63-1), with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol. IUPAC: methyl 2-[(2-benzyl-5-oxopyrazolidine-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AB00675579-01
Property Insights of AB00675579-01
The XLogP value of 2.6577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00675579-01. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00675579-01. Following Lipinski's Rule of Five, AB00675579-01 has 2 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 AB00675579-01?
The CAS number of AB00675579-01 is 956756-63-1.
What is the molecular formula of AB00675579-01?
The molecular formula of AB00675579-01 is C21H23N3O4S.
What is the molecular weight of AB00675579-01?
The molecular weight of AB00675579-01 is 413.14 g/mol.
Where can I buy AB00675579-01?
You can request a quote for AB00675579-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00675579-01?
Yes, KEHONG BIO provides custom synthesis services for AB00675579-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.