BAS 12767087
TL;DR: BAS 12767087 (CAS 957032-96-1) is a chemical compound with molecular formula C15H19N3O4S and molecular weight 337.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-methyl-5-oxopyrazolidine-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 12767087, F3023-0009, methyl 2-(2-methyl-5-oxopyrazolidine-3-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[(2-methyl-5-oxopyrazolidine-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-methyl-5-oxo-3-pyrazolidinylcarbonylamino)-1-thia-4,5,6,7-tetrahydro-3-indenecarboxylate
| Molecular Formula | C15H19N3O4S |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 1.0873 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.10962 |
| Heavy Atoms | 23 |
| Complexity | 669.92444 |
Chemical Identifiers
| CAS Number | 957032-96-1 |
|---|---|
| SMILES | CN1C(CC(=O)N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC |
Product Overview
BAS 12767087 (CAS 957032-96-1), with molecular formula C15H19N3O4S and molecular weight 337.11 g/mol. IUPAC: methyl 2-[(2-methyl-5-oxopyrazolidine-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 12767087
Property Insights of BAS 12767087
The XLogP value of 1.0873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12767087. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12767087. Following Lipinski's Rule of Five, BAS 12767087 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 BAS 12767087?
The CAS number of BAS 12767087 is 957032-96-1.
What is the molecular formula of BAS 12767087?
The molecular formula of BAS 12767087 is C15H19N3O4S.
What is the molecular weight of BAS 12767087?
The molecular weight of BAS 12767087 is 337.11 g/mol.
Where can I buy BAS 12767087?
You can request a quote for BAS 12767087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12767087?
Yes, KEHONG BIO provides custom synthesis services for BAS 12767087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.