AB00685662-01
TL;DR: AB00685662-01 (CAS 313649-38-6) is a chemical compound with molecular formula C20H23N3O2S and molecular weight 369.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Also Known As: AB00685662-01, F1126-0574, N-[2-(3,4-dimethoxyphenyl)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, N-[2-(3,4-dimethoxyphenyl)ethyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-amine, N-(3,4-dimethoxyphenethyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine
| Molecular Formula | C20H23N3O2S |
|---|---|
| Molecular Weight | 369.15 g/mol |
| LogP | 4.2419 |
| Topological Polar Surface Area | 56.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.1511 |
| Heavy Atoms | 26 |
| Complexity | 922.8054 |
Chemical Identifiers
| CAS Number | 313649-38-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2=C3C4=C(CCCC4)SC3=NC=N2)OC |
Product Overview
AB00685662-01 (CAS 313649-38-6), with molecular formula C20H23N3O2S and molecular weight 369.15 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
Chemical Property Profile of AB00685662-01
Property Insights of AB00685662-01
The XLogP value of 4.2419 indicates that AB00685662-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.27 Ų, AB00685662-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00685662-01 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 AB00685662-01?
The CAS number of AB00685662-01 is 313649-38-6.
What is the molecular formula of AB00685662-01?
The molecular formula of AB00685662-01 is C20H23N3O2S.
What is the molecular weight of AB00685662-01?
The molecular weight of AB00685662-01 is 369.15 g/mol.
Where can I buy AB00685662-01?
You can request a quote for AB00685662-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685662-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685662-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.