BAS 00742255
TL;DR: BAS 00742255 (CAS 499985-19-2) is a chemical compound with molecular formula C17H18IN3O3S and molecular weight 471.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-hydroxy-3-iodo-5-methoxyphenyl)-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 00742255, 2-(4-hydroxy-3-iodo-5-methoxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
| Molecular Formula | C17H18IN3O3S |
|---|---|
| Molecular Weight | 471.01 g/mol |
| LogP | 2.9089 |
| Topological Polar Surface Area | 73.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 471.01135 |
| Heavy Atoms | 25 |
| Complexity | 867.30835 |
Chemical Identifiers
| CAS Number | 499985-19-2 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C(=C4)I)O)OC |
Product Overview
BAS 00742255 (CAS 499985-19-2), with molecular formula C17H18IN3O3S and molecular weight 471.01 g/mol. IUPAC: 5-(4-hydroxy-3-iodo-5-methoxyphenyl)-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 00742255
Property Insights of BAS 00742255
The XLogP value of 2.9089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00742255. The TPSA of 73.83 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00742255. Following Lipinski's Rule of Five, BAS 00742255 has 3 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 00742255?
The CAS number of BAS 00742255 is 499985-19-2.
What is the molecular formula of BAS 00742255?
The molecular formula of BAS 00742255 is C17H18IN3O3S.
What is the molecular weight of BAS 00742255?
The molecular weight of BAS 00742255 is 471.01 g/mol.
Where can I buy BAS 00742255?
You can request a quote for BAS 00742255 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00742255?
Yes, KEHONG BIO provides custom synthesis services for BAS 00742255 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.