AO-081/41131181
TL;DR: AO-081/41131181 (CAS 434296-96-5) is a chemical compound with molecular formula C12H15N3OS2 and molecular weight 281.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N,6-trimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: AO-081/41131181, N,N,6-trimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide, N,N,6-trimethyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide, N,N,4-trimethyl-2-sulfanyl-6-(thiophen-2-yl)-1,6-dihydropyrimidine-5-carboxamide, N,N,6-trimethyl-4-(thiophen-2-yl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
| Molecular Formula | C12H15N3OS2 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 1.6291 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.06564 |
| Heavy Atoms | 18 |
| Complexity | 505.402 |
Chemical Identifiers
| CAS Number | 434296-96-5 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=CS2)C(=O)N(C)C |
Product Overview
AO-081/41131181 (CAS 434296-96-5), with molecular formula C12H15N3OS2 and molecular weight 281.07 g/mol. IUPAC: N,N,6-trimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of AO-081/41131181
Property Insights of AO-081/41131181
The XLogP value of 1.6291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/41131181. With a topological polar surface area (TPSA) of 44.37 Ų, AO-081/41131181 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/41131181 has 2 hydrogen bond donor(s) and 3 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 AO-081/41131181?
The CAS number of AO-081/41131181 is 434296-96-5.
What is the molecular formula of AO-081/41131181?
The molecular formula of AO-081/41131181 is C12H15N3OS2.
What is the molecular weight of AO-081/41131181?
The molecular weight of AO-081/41131181 is 281.07 g/mol.
Where can I buy AO-081/41131181?
You can request a quote for AO-081/41131181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41131181?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41131181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.