Maybridge3_002099
TL;DR: Maybridge3_002099 (CAS 686711-32-0) is a chemical compound with molecular formula C14H14BrN3O3S and molecular weight 382.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-2-oxoethyl]sulfanylacetic acid
Also Known As: Maybridge3_002099, IDI1_013486, 2-((2-((3-(4-Bromo-1-methyl-1H-pyrazol-3-yl)phenyl)amino)-2-oxoethyl)thio)acetic acid, 2-[({[3-(4-bromo-1-methyl-1H-pyrazol-3-yl)phenyl]carbamoyl}methyl)sulfanyl]acetic acid, 2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-2-oxoethyl]sulfanylacetic acid
| Molecular Formula | C14H14BrN3O3S |
|---|---|
| Molecular Weight | 382.99 g/mol |
| LogP | 2.6059 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.99393 |
| Heavy Atoms | 22 |
| Complexity | 702.39154 |
Chemical Identifiers
| CAS Number | 686711-32-0 |
|---|---|
| SMILES | CN1C=C(C(=N1)C2=CC(=CC=C2)NC(=O)CSCC(=O)O)Br |
Product Overview
Maybridge3_002099 (CAS 686711-32-0), with molecular formula C14H14BrN3O3S and molecular weight 382.99 g/mol. IUPAC: 2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of Maybridge3_002099
Property Insights of Maybridge3_002099
The XLogP value of 2.6059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Maybridge3_002099. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Maybridge3_002099. Following Lipinski's Rule of Five, Maybridge3_002099 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 Maybridge3_002099?
The CAS number of Maybridge3_002099 is 686711-32-0.
What is the molecular formula of Maybridge3_002099?
The molecular formula of Maybridge3_002099 is C14H14BrN3O3S.
What is the molecular weight of Maybridge3_002099?
The molecular weight of Maybridge3_002099 is 382.99 g/mol.
Where can I buy Maybridge3_002099?
You can request a quote for Maybridge3_002099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Maybridge3_002099?
Yes, KEHONG BIO provides custom synthesis services for Maybridge3_002099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.