BAS 01088644
TL;DR: BAS 01088644 (CAS 336169-21-2) is a chemical compound with molecular formula C18H20IN3O3S and molecular weight 485.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-iodo-4,5-dimethoxyphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: BAS 01088644, 2-(3-iodo-4,5-dimethoxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one, 2-(3-iodo-4,5-dimethoxyphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
| Molecular Formula | C18H20IN3O3S |
|---|---|
| Molecular Weight | 485.03 g/mol |
| LogP | 3.2119 |
| Topological Polar Surface Area | 62.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 485.027 |
| Heavy Atoms | 26 |
| Complexity | 883.05164 |
Chemical Identifiers
| CAS Number | 336169-21-2 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C(=C4)I)OC)OC |
Product Overview
BAS 01088644 (CAS 336169-21-2), with molecular formula C18H20IN3O3S and molecular weight 485.03 g/mol. IUPAC: 5-(3-iodo-4,5-dimethoxyphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of BAS 01088644
Property Insights of BAS 01088644
The XLogP value of 3.2119 indicates that BAS 01088644 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.83 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01088644. Following Lipinski's Rule of Five, BAS 01088644 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 01088644?
The CAS number of BAS 01088644 is 336169-21-2.
What is the molecular formula of BAS 01088644?
The molecular formula of BAS 01088644 is C18H20IN3O3S.
What is the molecular weight of BAS 01088644?
The molecular weight of BAS 01088644 is 485.03 g/mol.
Where can I buy BAS 01088644?
You can request a quote for BAS 01088644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01088644?
Yes, KEHONG BIO provides custom synthesis services for BAS 01088644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.