RefChem:327618
TL;DR: RefChem:327618 (CAS 133697-35-5) is a chemical compound with molecular formula C18H20N2O6 and molecular weight 360.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,5R)-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate
Also Known As: 2',3'-Dideoxyuridine deriv., 2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-hydroxymethyluridine, Benzoic acid, 4-methyl-, (5-(3,6-dihydro-5-(hydroxymethyl)-2,6-dioxo-1(2H)-pyrimidinyl)tetrahydro-2-furanyl)methyl ester, (2S-cis)-, [(2S,5R)-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate, [(2S,5R)-5-[5-(hydroxymethyl)-2,4-dioxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl 4-methylbenzoate
| Molecular Formula | C18H20N2O6 |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.13214 |
| Heavy Atoms | 26 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 133697-35-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC[C@@H]2CC[C@@H](O2)N3C=C(C(=O)NC3=O)CO |
| InChIKey | LFRUILMEWILHLP-LSDHHAIUSA-N |
Product Overview
RefChem:327618 (CAS 133697-35-5), with molecular formula C18H20N2O6 and molecular weight 360.13 g/mol. IUPAC: [(2S,5R)-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate.
Chemical Property Profile of RefChem:327618
Property Insights of RefChem:327618
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:327618. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327618. Following Lipinski's Rule of Five, RefChem:327618 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 RefChem:327618?
The CAS number of RefChem:327618 is 133697-35-5.
What is the molecular formula of RefChem:327618?
The molecular formula of RefChem:327618 is C18H20N2O6.
What is the molecular weight of RefChem:327618?
The molecular weight of RefChem:327618 is 360.13 g/mol.
Where can I buy RefChem:327618?
You can request a quote for RefChem:327618 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327618?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327618 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.