AN-655/13672008
TL;DR: AN-655/13672008 (CAS 353519-43-4) is a chemical compound with molecular formula C13H13BrN2O3S and molecular weight 355.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-bromo-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AN-655/13672008, methyl 4-(3-bromo-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, methyl 4-(3-bromo-4-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, methyl 4-(3-bromo-4-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C13H13BrN2O3S |
|---|---|
| Molecular Weight | 355.98 g/mol |
| LogP | 2.1205 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.98303 |
| Heavy Atoms | 20 |
| Complexity | 615.63385 |
Chemical Identifiers
| CAS Number | 353519-43-4 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)O)Br)C(=O)OC |
Product Overview
AN-655/13672008 (CAS 353519-43-4), with molecular formula C13H13BrN2O3S and molecular weight 355.98 g/mol. IUPAC: methyl 4-(3-bromo-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AN-655/13672008
Property Insights of AN-655/13672008
The XLogP value of 2.1205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-655/13672008. The TPSA of 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13672008. Following Lipinski's Rule of Five, AN-655/13672008 has 3 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 AN-655/13672008?
The CAS number of AN-655/13672008 is 353519-43-4.
What is the molecular formula of AN-655/13672008?
The molecular formula of AN-655/13672008 is C13H13BrN2O3S.
What is the molecular weight of AN-655/13672008?
The molecular weight of AN-655/13672008 is 355.98 g/mol.
Where can I buy AN-655/13672008?
You can request a quote for AN-655/13672008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13672008?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13672008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.