AB01288872-01
TL;DR: AB01288872-01 (CAS 670268-47-0) is a chemical compound with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
Also Known As: AB01288872-01, F1142-3547, N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-amine, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine, N-(1,3-benzodioxol-5-ylmethyl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
| Molecular Formula | C18H17N3O2S |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 3.82922 |
| Topological Polar Surface Area | 56.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.10416 |
| Heavy Atoms | 24 |
| Complexity | 951.07715 |
Chemical Identifiers
| CAS Number | 670268-47-0 |
|---|---|
| SMILES | CC1=NC(=C2C3=C(CCC3)SC2=N1)NCC4=CC5=C(C=C4)OCO5 |
Product Overview
AB01288872-01 (CAS 670268-47-0), with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine.
Chemical Property Profile of AB01288872-01
Property Insights of AB01288872-01
The XLogP value of 3.82922 indicates that AB01288872-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.27 Ų, AB01288872-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01288872-01 has 1 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 AB01288872-01?
The CAS number of AB01288872-01 is 670268-47-0.
What is the molecular formula of AB01288872-01?
The molecular formula of AB01288872-01 is C18H17N3O2S.
What is the molecular weight of AB01288872-01?
The molecular weight of AB01288872-01 is 339.10 g/mol.
Where can I buy AB01288872-01?
You can request a quote for AB01288872-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01288872-01?
Yes, KEHONG BIO provides custom synthesis services for AB01288872-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.