ZERO/001446
TL;DR: ZERO/001446 (CAS 292853-46-4) is a chemical compound with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ZERO/001446, BAS 00664327, methyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, METHYL 4-(2H-1,3-BENZODIOXOL-5-YL)-6-METHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
| Molecular Formula | C14H14N2O4S |
|---|---|
| Molecular Weight | 306.07 g/mol |
| LogP | 1.3811 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.0674 |
| Heavy Atoms | 21 |
| Complexity | 656.37415 |
Chemical Identifiers
| CAS Number | 292853-46-4 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC3=C(C=C2)OCO3)C(=O)OC |
Product Overview
ZERO/001446 (CAS 292853-46-4), with molecular formula C14H14N2O4S and molecular weight 306.07 g/mol. IUPAC: methyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ZERO/001446
Property Insights of ZERO/001446
The XLogP value of 1.3811 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZERO/001446. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ZERO/001446. Following Lipinski's Rule of Five, ZERO/001446 has 2 hydrogen bond donor(s) and 5 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 ZERO/001446?
The CAS number of ZERO/001446 is 292853-46-4.
What is the molecular formula of ZERO/001446?
The molecular formula of ZERO/001446 is C14H14N2O4S.
What is the molecular weight of ZERO/001446?
The molecular weight of ZERO/001446 is 306.07 g/mol.
Where can I buy ZERO/001446?
You can request a quote for ZERO/001446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZERO/001446?
Yes, KEHONG BIO provides custom synthesis services for ZERO/001446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.