![but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one structure](/static/products/1221/122113-44-4.webp)
but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
TL;DR: but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CAS 122113-44-4) is a chemical compound with molecular formula C16H20N4O5 and molecular weight 348.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
Also Known As: MS 430, but-2-enedioic acid; 9-methyl-3-(1-piperidyl)-2,4,9-triazabicyclo[4.3.0]nona-1,3,5-trien-8-one
| Molecular Formula | C16H20N4O5 |
|---|---|
| Molecular Weight | 348.14 g/mol |
| LogP | 0.6976 |
| Topological Polar Surface Area | 123.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.14337 |
| Heavy Atoms | 25 |
| Complexity | 681.7655 |
Chemical Identifiers
| CAS Number | 122113-44-4 |
|---|---|
| SMILES | CN1C(=O)CC2=CN=C(N=C21)N3CCCCC3.C(=CC(=O)O)C(=O)O |
Product Overview
but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CAS 122113-44-4), with molecular formula C16H20N4O5 and molecular weight 348.14 g/mol. IUPAC: but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
Chemical Property Profile of but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
Property Insights of but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
The XLogP value of 0.6976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one. The TPSA of 123.93 Ų falls within the moderate polarity range, balancing permeability and solubility for but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one. Following Lipinski's Rule of Five, but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one has 2 hydrogen bond donor(s) and 6 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 but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The CAS number of but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is 122113-44-4.
What is the molecular formula of but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The molecular formula of but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is C16H20N4O5.
What is the molecular weight of but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The molecular weight of but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is 348.14 g/mol.
Where can I buy but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
You can request a quote for but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
Yes, KEHONG BIO provides custom synthesis services for but-2-enedioic acid;7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.