A3804/0161471
TL;DR: A3804/0161471 (CAS 540771-29-7) is a chemical compound with molecular formula C15H17N5O5S and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-amino-3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid
Also Known As: A3804/0161471, F1285-0116, 3-(4-amino-3-((2-((2-methoxyphenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid, 3-[4-amino-3-({[(2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]propanoic acid, 3-[4-amino-3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid
| Molecular Formula | C15H17N5O5S |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 0.1087 |
| Topological Polar Surface Area | 149.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 379.09503 |
| Heavy Atoms | 26 |
| Complexity | 869.74585 |
Chemical Identifiers
| CAS Number | 540771-29-7 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)O |
Product Overview
A3804/0161471 (CAS 540771-29-7), with molecular formula C15H17N5O5S and molecular weight 379.10 g/mol. IUPAC: 3-[4-amino-3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid.
Chemical Property Profile of A3804/0161471
Property Insights of A3804/0161471
The XLogP value of 0.1087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3804/0161471. The TPSA of 149.43 Ų indicates high polarity, suggesting A3804/0161471 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A3804/0161471 has 3 hydrogen bond donor(s) and 8 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 A3804/0161471?
The CAS number of A3804/0161471 is 540771-29-7.
What is the molecular formula of A3804/0161471?
The molecular formula of A3804/0161471 is C15H17N5O5S.
What is the molecular weight of A3804/0161471?
The molecular weight of A3804/0161471 is 379.10 g/mol.
Where can I buy A3804/0161471?
You can request a quote for A3804/0161471 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3804/0161471?
Yes, KEHONG BIO provides custom synthesis services for A3804/0161471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.