D 1977
TL;DR: D 1977 (CAS 62401-98-3) is a chemical compound with molecular formula C18H23N5O6 and molecular weight 405.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Also Known As: D 1977, 5-26-14-00055 (Beilstein Handbook Reference), 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)-2-hydroxypropyl)theophylline, Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)-2-hydroxypropyl)-, 7-(3-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}-2-hydroxypropyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C18H23N5O6 |
|---|---|
| Molecular Weight | 405.16 g/mol |
| LogP | -1.471 |
| Topological Polar Surface Area | 154.77 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.16483 |
| Heavy Atoms | 29 |
| Complexity | 1148.0748 |
Chemical Identifiers
| CAS Number | 62401-98-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CNCC(C3=CC(=C(C=C3)O)O)O)O |
Product Overview
D 1977 (CAS 62401-98-3), with molecular formula C18H23N5O6 and molecular weight 405.16 g/mol. IUPAC: 7-[3-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of D 1977
Property Insights of D 1977
The XLogP value of -1.471 indicates that D 1977 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.77 Ų indicates high polarity, suggesting D 1977 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D 1977 has 5 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 D 1977?
The CAS number of D 1977 is 62401-98-3.
What is the molecular formula of D 1977?
The molecular formula of D 1977 is C18H23N5O6.
What is the molecular weight of D 1977?
The molecular weight of D 1977 is 405.16 g/mol.
Where can I buy D 1977?
You can request a quote for D 1977 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D 1977?
Yes, KEHONG BIO provides custom synthesis services for D 1977 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.