C16H23N3O3S2
TL;DR: C16H23N3O3S2 (CAS 903591-25-3) is a chemical compound with molecular formula C16H23N3O3S2 and molecular weight 369.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(11,11-dimethyl-4-methylsulfanyl-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-6-yl)-(2-hydroxyethyl)amino]ethanol
Also Known As: 2,2'-((7,7-dimethyl-2-(methylthio)-7,9-dihydro-6H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-4-yl)azanediyl)diethanol, 2,2'-{[7,7-dimethyl-2-(methylsulfanyl)-6,9-dihydro-7H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-4-yl]imino}diethanol
| Molecular Formula | C16H23N3O3S2 |
|---|---|
| Molecular Weight | 369.12 g/mol |
| LogP | 2.0555 |
| Topological Polar Surface Area | 78.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.11807 |
| Heavy Atoms | 24 |
| Complexity | 726.9162 |
Chemical Identifiers
| CAS Number | 903591-25-3 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=C(S2)C(=NC(=N3)SC)N(CCO)CCO)C |
Product Overview
C16H23N3O3S2 (CAS 903591-25-3), with molecular formula C16H23N3O3S2 and molecular weight 369.12 g/mol. IUPAC: 2-[(11,11-dimethyl-4-methylsulfanyl-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-6-yl)-(2-hydroxyethyl)amino]ethanol.
Chemical Property Profile of C16H23N3O3S2
Property Insights of C16H23N3O3S2
The XLogP value of 2.0555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H23N3O3S2. The TPSA of 78.71 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H23N3O3S2. Following Lipinski's Rule of Five, C16H23N3O3S2 has 2 hydrogen bond donor(s) and 8 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 C16H23N3O3S2?
The CAS number of C16H23N3O3S2 is 903591-25-3.
What is the molecular formula of C16H23N3O3S2?
The molecular formula of C16H23N3O3S2 is C16H23N3O3S2.
What is the molecular weight of C16H23N3O3S2?
The molecular weight of C16H23N3O3S2 is 369.12 g/mol.
Where can I buy C16H23N3O3S2?
You can request a quote for C16H23N3O3S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H23N3O3S2?
Yes, KEHONG BIO provides custom synthesis services for C16H23N3O3S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.