AB00403188-04
TL;DR: AB00403188-04 (CAS 863460-51-9) is a chemical compound with molecular formula C17H12FN5O3S and molecular weight 385.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: AB00403188-04, F0682-0869, methyl 5-(((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)methyl)furan-2-carboxylate, methyl 5-({[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}methyl)furan-2-carboxylate, methyl 5-[[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylmethyl]furan-2-carboxylate
| Molecular Formula | C17H12FN5O3S |
|---|---|
| Molecular Weight | 385.06 g/mol |
| LogP | 3.0215 |
| Topological Polar Surface Area | 95.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.06448 |
| Heavy Atoms | 27 |
| Complexity | 1109.4199 |
Chemical Identifiers
| CAS Number | 863460-51-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CSC2=NC=NC3=C2N=NN3C4=CC=C(C=C4)F |
Product Overview
AB00403188-04 (CAS 863460-51-9), with molecular formula C17H12FN5O3S and molecular weight 385.06 g/mol. IUPAC: methyl 5-[[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of AB00403188-04
Property Insights of AB00403188-04
The XLogP value of 3.0215 indicates that AB00403188-04 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 AB00403188-04. Following Lipinski's Rule of Five, AB00403188-04 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 AB00403188-04?
The CAS number of AB00403188-04 is 863460-51-9.
What is the molecular formula of AB00403188-04?
The molecular formula of AB00403188-04 is C17H12FN5O3S.
What is the molecular weight of AB00403188-04?
The molecular weight of AB00403188-04 is 385.06 g/mol.
Where can I buy AB00403188-04?
You can request a quote for AB00403188-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00403188-04?
Yes, KEHONG BIO provides custom synthesis services for AB00403188-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.