A3599/0152471
TL;DR: A3599/0152471 (CAS 489463-77-6) is a chemical compound with molecular formula C11H13N3S3 and molecular weight 283.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-12,12-dimethyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-triene-5-thione
Also Known As: A3599/0152471, 4-amino-6,6-dimethyl-5,8-dihydro-3H-thiopyrano[4,5]thieno[1,2-c]pyrimidine-2-thione, 4-amino-6,6-dimethyl-1,5,6,8-tetrahydro-2H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-thione, 4-AMINO-6,6-DIMETHYL-5,8-DIHYDRO-6H-THIOPYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-2-YLHYDROSULFIDE, 4-amino-6,6-dimethyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-thiol
| Molecular Formula | C11H13N3S3 |
|---|---|
| Molecular Weight | 283.03 g/mol |
| LogP | 3.50399 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 283.02716 |
| Heavy Atoms | 17 |
| Complexity | 653.7608 |
Chemical Identifiers
| CAS Number | 489463-77-6 |
|---|---|
| SMILES | CC1(CC2=C(CS1)SC3=NC(=S)NC(=C23)N)C |
Product Overview
A3599/0152471 (CAS 489463-77-6), with molecular formula C11H13N3S3 and molecular weight 283.03 g/mol. IUPAC: 3-amino-12,12-dimethyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-triene-5-thione.
Chemical Property Profile of A3599/0152471
Property Insights of A3599/0152471
The XLogP value of 3.50399 indicates that A3599/0152471 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, A3599/0152471 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3599/0152471 has 2 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 A3599/0152471?
The CAS number of A3599/0152471 is 489463-77-6.
What is the molecular formula of A3599/0152471?
The molecular formula of A3599/0152471 is C11H13N3S3.
What is the molecular weight of A3599/0152471?
The molecular weight of A3599/0152471 is 283.03 g/mol.
Where can I buy A3599/0152471?
You can request a quote for A3599/0152471 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3599/0152471?
Yes, KEHONG BIO provides custom synthesis services for A3599/0152471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.