AB00105742-01
TL;DR: AB00105742-01 (CAS 353519-92-3) is a chemical compound with molecular formula C14H15BrN2O3S and molecular weight 370.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-bromo-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AB00105742-01, AN-655/13869013, methyl 4-(2-bromo-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, methyl 4-(2-bromo-5-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, methyl 4-(2-bromo-5-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C14H15BrN2O3S |
|---|---|
| Molecular Weight | 370.00 g/mol |
| LogP | 2.4235 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.9987 |
| Heavy Atoms | 21 |
| Complexity | 630.6452 |
Chemical Identifiers
| CAS Number | 353519-92-3 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)OC)Br)C(=O)OC |
Product Overview
AB00105742-01 (CAS 353519-92-3), with molecular formula C14H15BrN2O3S and molecular weight 370.00 g/mol. IUPAC: methyl 4-(2-bromo-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AB00105742-01
Property Insights of AB00105742-01
The XLogP value of 2.4235 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00105742-01. With a topological polar surface area (TPSA) of 59.59 Ų, AB00105742-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00105742-01 has 2 hydrogen bond donor(s) and 4 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 AB00105742-01?
The CAS number of AB00105742-01 is 353519-92-3.
What is the molecular formula of AB00105742-01?
The molecular formula of AB00105742-01 is C14H15BrN2O3S.
What is the molecular weight of AB00105742-01?
The molecular weight of AB00105742-01 is 370.00 g/mol.
Where can I buy AB00105742-01?
You can request a quote for AB00105742-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105742-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105742-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.