BAS 01248721
TL;DR: BAS 01248721 (CAS 332162-14-8) is a chemical compound with molecular formula C20H19N3O3S2 and molecular weight 413.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino]benzoate
Also Known As: BAS 01248721, methyl 4-{[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino}benzoate, methyl 4-(2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamido)benzoate, methyl 4-(2-(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-ylthio)acet ylamino)benzoate, methyl 4-(2-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}acetamido)benzoate
| Molecular Formula | C20H19N3O3S2 |
|---|---|
| Molecular Weight | 413.09 g/mol |
| LogP | 4.0875 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.0868 |
| Heavy Atoms | 28 |
| Complexity | 1031.102 |
Chemical Identifiers
| CAS Number | 332162-14-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4 |
Product Overview
BAS 01248721 (CAS 332162-14-8), with molecular formula C20H19N3O3S2 and molecular weight 413.09 g/mol. IUPAC: methyl 4-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino]benzoate.
Chemical Property Profile of BAS 01248721
Property Insights of BAS 01248721
The XLogP value of 4.0875 indicates that BAS 01248721 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01248721. Following Lipinski's Rule of Five, BAS 01248721 has 1 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 01248721?
The CAS number of BAS 01248721 is 332162-14-8.
What is the molecular formula of BAS 01248721?
The molecular formula of BAS 01248721 is C20H19N3O3S2.
What is the molecular weight of BAS 01248721?
The molecular weight of BAS 01248721 is 413.09 g/mol.
Where can I buy BAS 01248721?
You can request a quote for BAS 01248721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01248721?
Yes, KEHONG BIO provides custom synthesis services for BAS 01248721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.