AB00686951-01
TL;DR: AB00686951-01 (CAS 893914-80-2) is a chemical compound with molecular formula C18H13ClN4O3S and molecular weight 400.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: AB00686951-01, F1874-0704, methyl 5-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylmethyl]furan-2-carboxylate, methyl 5-(((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)methyl)furan-2-carboxylate, methyl 5-({[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}methyl)furan-2-carboxylate
| Molecular Formula | C18H13ClN4O3S |
|---|---|
| Molecular Weight | 400.04 g/mol |
| LogP | 4.1408 |
| Topological Polar Surface Area | 83.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.0397 |
| Heavy Atoms | 27 |
| Complexity | 1107.4578 |
Chemical Identifiers
| CAS Number | 893914-80-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl |
Product Overview
AB00686951-01 (CAS 893914-80-2), with molecular formula C18H13ClN4O3S and molecular weight 400.04 g/mol. IUPAC: methyl 5-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of AB00686951-01
Property Insights of AB00686951-01
The XLogP value of 4.1408 indicates that AB00686951-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686951-01. Following Lipinski's Rule of Five, AB00686951-01 has 0 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 AB00686951-01?
The CAS number of AB00686951-01 is 893914-80-2.
What is the molecular formula of AB00686951-01?
The molecular formula of AB00686951-01 is C18H13ClN4O3S.
What is the molecular weight of AB00686951-01?
The molecular weight of AB00686951-01 is 400.04 g/mol.
Where can I buy AB00686951-01?
You can request a quote for AB00686951-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686951-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686951-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.