BAS 00700358
TL;DR: BAS 00700358 (CAS 59898-80-5) is a chemical compound with molecular formula C21H22N2O3S2 and molecular weight 414.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-benzyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Also Known As: BAS 00700358, AB00093373-01, ethyl [(3-benzyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate, ethyl 2-((3-benzyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate, ethyl 2-[(3-benzyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
| Molecular Formula | C21H22N2O3S2 |
|---|---|
| Molecular Weight | 414.11 g/mol |
| LogP | 4.0403 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.10718 |
| Heavy Atoms | 28 |
| Complexity | 1056.9382 |
Chemical Identifiers
| CAS Number | 59898-80-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC4=CC=CC=C4 |
Product Overview
BAS 00700358 (CAS 59898-80-5), with molecular formula C21H22N2O3S2 and molecular weight 414.11 g/mol. IUPAC: ethyl 2-[(3-benzyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate.
Chemical Property Profile of BAS 00700358
Property Insights of BAS 00700358
The XLogP value of 4.0403 indicates that BAS 00700358 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00700358. Following Lipinski's Rule of Five, BAS 00700358 has 0 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 00700358?
The CAS number of BAS 00700358 is 59898-80-5.
What is the molecular formula of BAS 00700358?
The molecular formula of BAS 00700358 is C21H22N2O3S2.
What is the molecular weight of BAS 00700358?
The molecular weight of BAS 00700358 is 414.11 g/mol.
Where can I buy BAS 00700358?
You can request a quote for BAS 00700358 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00700358?
Yes, KEHONG BIO provides custom synthesis services for BAS 00700358 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.