AO-081/40878588
TL;DR: AO-081/40878588 (CAS 433255-90-4) is a chemical compound with molecular formula C11H13N3OS2 and molecular weight 267.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,6-dimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: AO-081/40878588, N,6-dimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide, N,6-dimethyl-4-(thiophen-2-yl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N,4-dimethyl-2-sulfanyl-6-(thiophen-2-yl)-1,6-dihydropyrimidine-5-carboxamide, N,6-dimethyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
| Molecular Formula | C11H13N3OS2 |
|---|---|
| Molecular Weight | 267.05 g/mol |
| LogP | 1.2869 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.05002 |
| Heavy Atoms | 17 |
| Complexity | 478.9158 |
Chemical Identifiers
| CAS Number | 433255-90-4 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=CS2)C(=O)NC |
Product Overview
AO-081/40878588 (CAS 433255-90-4), with molecular formula C11H13N3OS2 and molecular weight 267.05 g/mol. IUPAC: N,6-dimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of AO-081/40878588
Property Insights of AO-081/40878588
The XLogP value of 1.2869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/40878588. With a topological polar surface area (TPSA) of 53.16 Ų, AO-081/40878588 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/40878588 has 3 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-081/40878588?
The CAS number of AO-081/40878588 is 433255-90-4.
What is the molecular formula of AO-081/40878588?
The molecular formula of AO-081/40878588 is C11H13N3OS2.
What is the molecular weight of AO-081/40878588?
The molecular weight of AO-081/40878588 is 267.05 g/mol.
Where can I buy AO-081/40878588?
You can request a quote for AO-081/40878588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40878588?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40878588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.