1,2-二氢-1-甲基-2-氧代腺苷
TL;DR: 1,2-二氢-1-甲基-2-氧代腺苷 (CAS 70639-65-5) is a chemical compound with molecular formula C11H15N5O5 and molecular weight 297.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-二氢-1-甲基-2-氧代腺苷
6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-2-one
Also Known As: Adenosine, 1,2-dihydro-1-methyl-2-oxo-, 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-2-one, 6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1-methyl-1H-purin-2(9H)-one, 6-amino-9-(3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1-methyl-1H-purin-2(9H)-one, 6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-2,9-dihydro-1H-purin-2-one
| Molecular Formula | C11H15N5O5 |
|---|---|
| Molecular Weight | 297.11 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.10733 |
| Heavy Atoms | 21 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 70639-65-5 |
|---|---|
| SMILES | CN1C(=C2C(=NC1=O)N(C=N2)C3C(C(C(O3)CO)O)O)N |
| InChIKey | NGSRMSVXLUMDAX-UHFFFAOYSA-N |
Product Overview
1,2-二氢-1-甲基-2-氧代腺苷 (CAS 70639-65-5), with molecular formula C11H15N5O5 and molecular weight 297.11 g/mol. IUPAC: 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-2-one.
Chemical Property Profile of 1,2-二氢-1-甲基-2-氧代腺苷
Property Insights of 1,2-二氢-1-甲基-2-氧代腺苷
The XLogP value of -2.8 indicates that 1,2-二氢-1-甲基-2-氧代腺苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.0 Ų indicates high polarity, suggesting 1,2-二氢-1-甲基-2-氧代腺苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-二氢-1-甲基-2-氧代腺苷 has 4 hydrogen bond donor(s) and 7 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 1,2-二氢-1-甲基-2-氧代腺苷?
The CAS number of 1,2-二氢-1-甲基-2-氧代腺苷 is 70639-65-5.
What is the molecular formula of 1,2-二氢-1-甲基-2-氧代腺苷?
The molecular formula of 1,2-二氢-1-甲基-2-氧代腺苷 is C11H15N5O5.
What is the molecular weight of 1,2-二氢-1-甲基-2-氧代腺苷?
The molecular weight of 1,2-二氢-1-甲基-2-氧代腺苷 is 297.11 g/mol.
Where can I buy 1,2-二氢-1-甲基-2-氧代腺苷?
You can request a quote for 1,2-二氢-1-甲基-2-氧代腺苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-二氢-1-甲基-2-氧代腺苷?
Yes, KEHONG BIO provides custom synthesis services for 1,2-二氢-1-甲基-2-氧代腺苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.