BAS 05228630
TL;DR: BAS 05228630 (CAS 494826-15-2) is a chemical compound with molecular formula C18H17N3O4S2 and molecular weight 403.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 05228630, AB00685748-01, F1198-0024, methyl 2-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate, methyl 2-[2-({5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
| Molecular Formula | C18H17N3O4S2 |
|---|---|
| Molecular Weight | 403.07 g/mol |
| LogP | 3.11884 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.06604 |
| Heavy Atoms | 27 |
| Complexity | 1087.8905 |
Chemical Identifiers
| CAS Number | 494826-15-2 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NC3=CC=CC=C3C(=O)OC)C |
Product Overview
BAS 05228630 (CAS 494826-15-2), with molecular formula C18H17N3O4S2 and molecular weight 403.07 g/mol. IUPAC: methyl 2-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 05228630
Property Insights of BAS 05228630
The XLogP value of 3.11884 indicates that BAS 05228630 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05228630. Following Lipinski's Rule of Five, BAS 05228630 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 05228630?
The CAS number of BAS 05228630 is 494826-15-2.
What is the molecular formula of BAS 05228630?
The molecular formula of BAS 05228630 is C18H17N3O4S2.
What is the molecular weight of BAS 05228630?
The molecular weight of BAS 05228630 is 403.07 g/mol.
Where can I buy BAS 05228630?
You can request a quote for BAS 05228630 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05228630?
Yes, KEHONG BIO provides custom synthesis services for BAS 05228630 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.