BAS 04392210
TL;DR: BAS 04392210 (CAS 526188-32-9) is a chemical compound with molecular formula C18H16N2O2S2 and molecular weight 356.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanylmethyl)benzoic acid
Also Known As: BAS 04392210, 4-({8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}methyl)benzoic acid, 4-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)methyl]benzoic acid, 4-(((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)methyl)benzoic acid, 4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanylmethyl)benzoic acid
| Molecular Formula | C18H16N2O2S2 |
|---|---|
| Molecular Weight | 356.07 g/mol |
| LogP | 4.5606 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.0653 |
| Heavy Atoms | 24 |
| Complexity | 903.2728 |
Chemical Identifiers
| CAS Number | 526188-32-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC4=CC=C(C=C4)C(=O)O |
Product Overview
BAS 04392210 (CAS 526188-32-9), with molecular formula C18H16N2O2S2 and molecular weight 356.07 g/mol. IUPAC: 4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanylmethyl)benzoic acid.
Chemical Property Profile of BAS 04392210
Property Insights of BAS 04392210
The XLogP value of 4.5606 indicates that BAS 04392210 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04392210. Following Lipinski's Rule of Five, BAS 04392210 has 1 hydrogen bond donor(s) and 5 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 04392210?
The CAS number of BAS 04392210 is 526188-32-9.
What is the molecular formula of BAS 04392210?
The molecular formula of BAS 04392210 is C18H16N2O2S2.
What is the molecular weight of BAS 04392210?
The molecular weight of BAS 04392210 is 356.07 g/mol.
Where can I buy BAS 04392210?
You can request a quote for BAS 04392210 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04392210?
Yes, KEHONG BIO provides custom synthesis services for BAS 04392210 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.