AB01312218-01
TL;DR: AB01312218-01 (CAS 384367-08-2) is a chemical compound with molecular formula C18H16N4OS and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-methylphenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: AB01312218-01, A2994/0126154, 4-(3-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 4-m-Tolyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,10b-tetraaza-cyclopenta[a]fluoren-5-one, 4-(m-tolyl)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C18H16N4OS |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.1045 |
| Heavy Atoms | 24 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 384367-08-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4)SC5=C3CCCC5 |
| InChIKey | GCWYPVUGLLRXTF-UHFFFAOYSA-N |
Product Overview
AB01312218-01 (CAS 384367-08-2), with molecular formula C18H16N4OS and molecular weight 336.10 g/mol. IUPAC: 7-(3-methylphenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of AB01312218-01
Property Insights of AB01312218-01
The XLogP value of 3.7 indicates that AB01312218-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01312218-01. Following Lipinski's Rule of Five, AB01312218-01 has 0 hydrogen bond donor(s) and 4 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 AB01312218-01?
The CAS number of AB01312218-01 is 384367-08-2.
What is the molecular formula of AB01312218-01?
The molecular formula of AB01312218-01 is C18H16N4OS.
What is the molecular weight of AB01312218-01?
The molecular weight of AB01312218-01 is 336.10 g/mol.
Where can I buy AB01312218-01?
You can request a quote for AB01312218-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01312218-01?
Yes, KEHONG BIO provides custom synthesis services for AB01312218-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.