BAS 00454985
TL;DR: BAS 00454985 (CAS 329059-73-6) is a chemical compound with molecular formula C13H15N3O3S and molecular weight 293.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-amino-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid
Also Known As: BAS 00454985, 3-(3-Amino-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanoic acid, 2-Amino-6,7,8,9-tetrahydro-1(2H)-oxobenzo[4,5]thieno[3,2-d]pyrimidine-3-propionic acid, 3-(3-amino-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid, 3-(3-Amino-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanoic acid #
| Molecular Formula | C13H15N3O3S |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.0834 |
| Heavy Atoms | 20 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 329059-73-6 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)N)CCC(=O)O |
| InChIKey | LHBAFLNBWWBKSE-UHFFFAOYSA-N |
Product Overview
BAS 00454985 (CAS 329059-73-6), with molecular formula C13H15N3O3S and molecular weight 293.08 g/mol. IUPAC: 3-(3-amino-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid.
Chemical Property Profile of BAS 00454985
Property Insights of BAS 00454985
The XLogP value of -1.5 indicates that BAS 00454985 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00454985. Following Lipinski's Rule of Five, BAS 00454985 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 00454985?
The CAS number of BAS 00454985 is 329059-73-6.
What is the molecular formula of BAS 00454985?
The molecular formula of BAS 00454985 is C13H15N3O3S.
What is the molecular weight of BAS 00454985?
The molecular weight of BAS 00454985 is 293.08 g/mol.
Where can I buy BAS 00454985?
You can request a quote for BAS 00454985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00454985?
Yes, KEHONG BIO provides custom synthesis services for BAS 00454985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.