AF-399/40806300
TL;DR: AF-399/40806300 (CAS 379241-75-5) is a chemical compound with molecular formula C18H17N5S and molecular weight 335.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5,6-dimethylbenzotriazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: AF-399/40806300, 4-(5,6-dimethyl-1H-benzotriazol-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, 4-(5,6-dimethyl-1H-1,2,3-benzotriazol-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, 4-(5,6-dimethylbenzotriazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
| Molecular Formula | C18H17N5S |
|---|---|
| Molecular Weight | 335.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.12045 |
| Heavy Atoms | 24 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 379241-75-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(N=N2)C3=C4C5=C(CCCC5)SC4=NC=N3 |
| InChIKey | PSTMOLWLPNXOII-UHFFFAOYSA-N |
Product Overview
AF-399/40806300 (CAS 379241-75-5), with molecular formula C18H17N5S and molecular weight 335.12 g/mol. IUPAC: 4-(5,6-dimethylbenzotriazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of AF-399/40806300
Property Insights of AF-399/40806300
The XLogP value of 4.7 indicates that AF-399/40806300 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40806300. Following Lipinski's Rule of Five, AF-399/40806300 has 0 hydrogen bond donor(s) and 5 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 AF-399/40806300?
The CAS number of AF-399/40806300 is 379241-75-5.
What is the molecular formula of AF-399/40806300?
The molecular formula of AF-399/40806300 is C18H17N5S.
What is the molecular weight of AF-399/40806300?
The molecular weight of AF-399/40806300 is 335.12 g/mol.
Where can I buy AF-399/40806300?
You can request a quote for AF-399/40806300 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40806300?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40806300 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.