A4012/0171100
TL;DR: A4012/0171100 (CAS 899372-28-2) is a chemical compound with molecular formula C18H17N3O5S and molecular weight 387.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(2,4,5-trimethoxyphenyl)-5-thia-2,7,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,6-triene-8,12-dione
Also Known As: A4012/0171100, 4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-2,5(1H)-dione, 4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrido[3,2-e]thiazolo[3,2-a]pyrimidine-2,5-dione
| Molecular Formula | C18H17N3O5S |
|---|---|
| Molecular Weight | 387.09 g/mol |
| LogP | 2.2559 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.0889 |
| Heavy Atoms | 27 |
| Complexity | 1104.3055 |
Chemical Identifiers
| CAS Number | 899372-28-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C2CC(=O)NC3=C2C(=O)N=C4N3C=CS4)OC)OC |
Product Overview
A4012/0171100 (CAS 899372-28-2), with molecular formula C18H17N3O5S and molecular weight 387.09 g/mol. IUPAC: 10-(2,4,5-trimethoxyphenyl)-5-thia-2,7,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,6-triene-8,12-dione.
Chemical Property Profile of A4012/0171100
Property Insights of A4012/0171100
The XLogP value of 2.2559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4012/0171100. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for A4012/0171100. Following Lipinski's Rule of Five, A4012/0171100 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 A4012/0171100?
The CAS number of A4012/0171100 is 899372-28-2.
What is the molecular formula of A4012/0171100?
The molecular formula of A4012/0171100 is C18H17N3O5S.
What is the molecular weight of A4012/0171100?
The molecular weight of A4012/0171100 is 387.09 g/mol.
Where can I buy A4012/0171100?
You can request a quote for A4012/0171100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4012/0171100?
Yes, KEHONG BIO provides custom synthesis services for A4012/0171100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.