2-Heptadecyl-6-methoxy-1,4-benzoquinone
TL;DR: 2-Heptadecyl-6-methoxy-1,4-benzoquinone (CAS 78472-08-9) is a chemical compound with molecular formula C21H23N5O5 and molecular weight 425.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[2-(2-amino-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid
Also Known As: 2-Heptadecyl-6-methoxy-1,4-benzoquinone, 2-[[4-[2-(2-amino-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid, GPB
| Molecular Formula | C21H23N5O5 |
|---|---|
| Molecular Weight | 425.17 g/mol |
| LogP | 1.68152 |
| Topological Polar Surface Area | 171.29 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 425.16992 |
| Heavy Atoms | 31 |
| Complexity | 1123.1409 |
Chemical Identifiers
| CAS Number | 78472-08-9 |
|---|---|
| SMILES | CC1=C2C(=CNC2=NC(=N1)N)CCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O |
Product Overview
2-Heptadecyl-6-methoxy-1,4-benzoquinone (CAS 78472-08-9), with molecular formula C21H23N5O5 and molecular weight 425.17 g/mol. IUPAC: 2-[[4-[2-(2-amino-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 2-Heptadecyl-6-methoxy-1,4-benzoquinone
Property Insights of 2-Heptadecyl-6-methoxy-1,4-benzoquinone
The XLogP value of 1.68152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Heptadecyl-6-methoxy-1,4-benzoquinone. The TPSA of 171.29 Ų indicates high polarity, suggesting 2-Heptadecyl-6-methoxy-1,4-benzoquinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Heptadecyl-6-methoxy-1,4-benzoquinone has 5 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 2-Heptadecyl-6-methoxy-1,4-benzoquinone?
The CAS number of 2-Heptadecyl-6-methoxy-1,4-benzoquinone is 78472-08-9.
What is the molecular formula of 2-Heptadecyl-6-methoxy-1,4-benzoquinone?
The molecular formula of 2-Heptadecyl-6-methoxy-1,4-benzoquinone is C21H23N5O5.
What is the molecular weight of 2-Heptadecyl-6-methoxy-1,4-benzoquinone?
The molecular weight of 2-Heptadecyl-6-methoxy-1,4-benzoquinone is 425.17 g/mol.
Where can I buy 2-Heptadecyl-6-methoxy-1,4-benzoquinone?
You can request a quote for 2-Heptadecyl-6-methoxy-1,4-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptadecyl-6-methoxy-1,4-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptadecyl-6-methoxy-1,4-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.