A3599/0152465
TL;DR: A3599/0152465 (CAS 500273-58-5) is a chemical compound with molecular formula C20H23N3O2S2 and molecular weight 401.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methoxyphenyl)methylsulfanyl]-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
Also Known As: A3599/0152465, 2-[(4-methoxybenzyl)sulfanyl]-6-(propan-2-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine, 6-isopropyl-2-((4-methoxybenzyl)thio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine, 6-isopropyl-2-[(4-methoxybenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
| Molecular Formula | C20H23N3O2S2 |
|---|---|
| Molecular Weight | 401.12 g/mol |
| LogP | 4.6717 |
| Topological Polar Surface Area | 70.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.12317 |
| Heavy Atoms | 27 |
| Complexity | 954.0104 |
Chemical Identifiers
| CAS Number | 500273-58-5 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=NC(=NC(=C23)N)SCC4=CC=C(C=C4)OC |
Product Overview
A3599/0152465 (CAS 500273-58-5), with molecular formula C20H23N3O2S2 and molecular weight 401.12 g/mol. IUPAC: 5-[(4-methoxyphenyl)methylsulfanyl]-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine.
Chemical Property Profile of A3599/0152465
Property Insights of A3599/0152465
The XLogP value of 4.6717 indicates that A3599/0152465 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.26 Ų falls within the moderate polarity range, balancing permeability and solubility for A3599/0152465. Following Lipinski's Rule of Five, A3599/0152465 has 1 hydrogen bond donor(s) and 7 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 A3599/0152465?
The CAS number of A3599/0152465 is 500273-58-5.
What is the molecular formula of A3599/0152465?
The molecular formula of A3599/0152465 is C20H23N3O2S2.
What is the molecular weight of A3599/0152465?
The molecular weight of A3599/0152465 is 401.12 g/mol.
Where can I buy A3599/0152465?
You can request a quote for A3599/0152465 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3599/0152465?
Yes, KEHONG BIO provides custom synthesis services for A3599/0152465 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.