A3599/0152472
TL;DR: A3599/0152472 (CAS 696608-79-4) is a chemical compound with molecular formula C11H14N4O2S and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-diamino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-5-one
Also Known As: A3599/0152472, 3-amino-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one, 3-amino-4-imino-6,6-dimethyl-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one, 3-amino-4-imino-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-ol
| Molecular Formula | C11H14N4O2S |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 0.6053 |
| Topological Polar Surface Area | 96.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.08374 |
| Heavy Atoms | 18 |
| Complexity | 701.11163 |
Chemical Identifiers
| CAS Number | 696608-79-4 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=NC(=O)N(C(=C23)N)N)C |
Product Overview
A3599/0152472 (CAS 696608-79-4), with molecular formula C11H14N4O2S and molecular weight 266.08 g/mol. IUPAC: 3,4-diamino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-5-one.
Chemical Property Profile of A3599/0152472
Property Insights of A3599/0152472
The XLogP value of 0.6053 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3599/0152472. The TPSA of 96.16 Ų falls within the moderate polarity range, balancing permeability and solubility for A3599/0152472. Following Lipinski's Rule of Five, A3599/0152472 has 2 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 A3599/0152472?
The CAS number of A3599/0152472 is 696608-79-4.
What is the molecular formula of A3599/0152472?
The molecular formula of A3599/0152472 is C11H14N4O2S.
What is the molecular weight of A3599/0152472?
The molecular weight of A3599/0152472 is 266.08 g/mol.
Where can I buy A3599/0152472?
You can request a quote for A3599/0152472 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3599/0152472?
Yes, KEHONG BIO provides custom synthesis services for A3599/0152472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.