BAS 03159552
TL;DR: BAS 03159552 (CAS 483360-31-2) is a chemical compound with molecular formula C19H17N3O4S2 and molecular weight 415.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 03159552, methyl 4-({[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate, methyl 4-(2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)benzoate
| Molecular Formula | C19H17N3O4S2 |
|---|---|
| Molecular Weight | 415.07 g/mol |
| LogP | 2.9907 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.06604 |
| Heavy Atoms | 28 |
| Complexity | 1118.6494 |
Chemical Identifiers
| CAS Number | 483360-31-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2 |
Product Overview
BAS 03159552 (CAS 483360-31-2), with molecular formula C19H17N3O4S2 and molecular weight 415.07 g/mol. IUPAC: methyl 4-[[2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 03159552
Property Insights of BAS 03159552
The XLogP value of 2.9907 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03159552. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03159552. Following Lipinski's Rule of Five, BAS 03159552 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 BAS 03159552?
The CAS number of BAS 03159552 is 483360-31-2.
What is the molecular formula of BAS 03159552?
The molecular formula of BAS 03159552 is C19H17N3O4S2.
What is the molecular weight of BAS 03159552?
The molecular weight of BAS 03159552 is 415.07 g/mol.
Where can I buy BAS 03159552?
You can request a quote for BAS 03159552 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03159552?
Yes, KEHONG BIO provides custom synthesis services for BAS 03159552 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.