BAS 00469611
TL;DR: BAS 00469611 (CAS 332412-58-5) is a chemical compound with molecular formula C29H29N3O4S2 and molecular weight 547.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 00469611, butyl 4-({[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate, butyl 4-({[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetyl}amino)benzoate, BUTYL 4-({2-[(4-OXO-3-PHENYL-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETYL}AMINO)BENZOATE, butyl 4-(2-((4-oxo-3-phenyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)benzoate
| Molecular Formula | C29H29N3O4S2 |
|---|---|
| Molecular Weight | 547.16 g/mol |
| LogP | 6.0137 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 547.16 |
| Heavy Atoms | 38 |
| Complexity | 1511.1107 |
Chemical Identifiers
| CAS Number | 332412-58-5 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5 |
Product Overview
BAS 00469611 (CAS 332412-58-5), with molecular formula C29H29N3O4S2 and molecular weight 547.16 g/mol. IUPAC: butyl 4-[[2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 00469611
Property Insights of BAS 00469611
The XLogP value of 6.0137 indicates that BAS 00469611 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00469611. Following Lipinski's Rule of Five, BAS 00469611 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00469611?
The CAS number of BAS 00469611 is 332412-58-5.
What is the molecular formula of BAS 00469611?
The molecular formula of BAS 00469611 is C29H29N3O4S2.
What is the molecular weight of BAS 00469611?
The molecular weight of BAS 00469611 is 547.16 g/mol.
Where can I buy BAS 00469611?
You can request a quote for BAS 00469611 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00469611?
Yes, KEHONG BIO provides custom synthesis services for BAS 00469611 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.