AB01314937-01
TL;DR: AB01314937-01 (CAS 902009-10-3) is a chemical compound with molecular formula C22H19N5OS and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-4-(naphthalen-2-yloxymethyl)-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: AB01314937-01, 9-methyl-2-[(naphthalen-2-yloxy)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 9-methyl-2-((naphthalen-2-yloxy)methyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C22H19N5OS |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 4.0591 |
| Topological Polar Surface Area | 55.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.13104 |
| Heavy Atoms | 29 |
| Complexity | 1372.1882 |
Chemical Identifiers
| CAS Number | 902009-10-3 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)COC5=CC6=CC=CC=C6C=C5 |
Product Overview
AB01314937-01 (CAS 902009-10-3), with molecular formula C22H19N5OS and molecular weight 401.13 g/mol. IUPAC: 13-methyl-4-(naphthalen-2-yloxymethyl)-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of AB01314937-01
Property Insights of AB01314937-01
The XLogP value of 4.0591 indicates that AB01314937-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.55 Ų, AB01314937-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01314937-01 has 0 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 AB01314937-01?
The CAS number of AB01314937-01 is 902009-10-3.
What is the molecular formula of AB01314937-01?
The molecular formula of AB01314937-01 is C22H19N5OS.
What is the molecular weight of AB01314937-01?
The molecular weight of AB01314937-01 is 401.13 g/mol.
Where can I buy AB01314937-01?
You can request a quote for AB01314937-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01314937-01?
Yes, KEHONG BIO provides custom synthesis services for AB01314937-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.