AB00115670-01
TL;DR: AB00115670-01 (CAS 431891-68-8) is a chemical compound with molecular formula C19H18N4O4S2 and molecular weight 430.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
Also Known As: AB00115670-01, 2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide, 2-((3-allyl-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-nitrophenyl)acetamide, 2-{[6-ethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
| Molecular Formula | C19H18N4O4S2 |
|---|---|
| Molecular Weight | 430.08 g/mol |
| LogP | 3.8454 |
| Topological Polar Surface Area | 107.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 430.07693 |
| Heavy Atoms | 29 |
| Complexity | 1152.8069 |
Chemical Identifiers
| CAS Number | 431891-68-8 |
|---|---|
| SMILES | CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
AB00115670-01 (CAS 431891-68-8), with molecular formula C19H18N4O4S2 and molecular weight 430.08 g/mol. IUPAC: 2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide.
Chemical Property Profile of AB00115670-01
Property Insights of AB00115670-01
The XLogP value of 3.8454 indicates that AB00115670-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115670-01. Following Lipinski's Rule of Five, AB00115670-01 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 AB00115670-01?
The CAS number of AB00115670-01 is 431891-68-8.
What is the molecular formula of AB00115670-01?
The molecular formula of AB00115670-01 is C19H18N4O4S2.
What is the molecular weight of AB00115670-01?
The molecular weight of AB00115670-01 is 430.08 g/mol.
Where can I buy AB00115670-01?
You can request a quote for AB00115670-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115670-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115670-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.