AB00685010-01
TL;DR: AB00685010-01 (CAS 863458-23-5) is a chemical compound with molecular formula C18H14FN5O3S and molecular weight 399.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: AB00685010-01, F0682-0309, methyl 5-(((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)methyl)furan-2-carboxylate, methyl 5-[({3-[(4-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)methyl]furan-2-carboxylate, methyl 5-[[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylmethyl]furan-2-carboxylate
| Molecular Formula | C18H14FN5O3S |
|---|---|
| Molecular Weight | 399.08 g/mol |
| LogP | 3.0806 |
| Topological Polar Surface Area | 95.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.08014 |
| Heavy Atoms | 28 |
| Complexity | 1125.921 |
Chemical Identifiers
| CAS Number | 863458-23-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CSC2=NC=NC3=C2N=NN3CC4=CC=C(C=C4)F |
Product Overview
AB00685010-01 (CAS 863458-23-5), with molecular formula C18H14FN5O3S and molecular weight 399.08 g/mol. IUPAC: methyl 5-[[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of AB00685010-01
Property Insights of AB00685010-01
The XLogP value of 3.0806 indicates that AB00685010-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.93 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685010-01. Following Lipinski's Rule of Five, AB00685010-01 has 0 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 AB00685010-01?
The CAS number of AB00685010-01 is 863458-23-5.
What is the molecular formula of AB00685010-01?
The molecular formula of AB00685010-01 is C18H14FN5O3S.
What is the molecular weight of AB00685010-01?
The molecular weight of AB00685010-01 is 399.08 g/mol.
Where can I buy AB00685010-01?
You can request a quote for AB00685010-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685010-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685010-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.