AN-038/12879002
TL;DR: AN-038/12879002 (CAS 353483-82-6) is a chemical compound with molecular formula C15H16N2O3S2 and molecular weight 336.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[11-(2-methylprop-2-enyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetic acid
Also Known As: AN-038/12879002, {[3-(2-methyl-2-propenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid, {[3-(2-methylprop-2-en-1-yl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid, 2-((3-(2-methylallyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid
| Molecular Formula | C15H16N2O3S2 |
|---|---|
| Molecular Weight | 336.06 g/mol |
| LogP | 2.6995 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.06024 |
| Heavy Atoms | 22 |
| Complexity | 835.40564 |
Chemical Identifiers
| CAS Number | 353483-82-6 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)O)SC3=C2CCC3 |
Product Overview
AN-038/12879002 (CAS 353483-82-6), with molecular formula C15H16N2O3S2 and molecular weight 336.06 g/mol. IUPAC: 2-[[11-(2-methylprop-2-enyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetic acid.
Chemical Property Profile of AN-038/12879002
Property Insights of AN-038/12879002
The XLogP value of 2.6995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-038/12879002. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-038/12879002. Following Lipinski's Rule of Five, AN-038/12879002 has 1 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 AN-038/12879002?
The CAS number of AN-038/12879002 is 353483-82-6.
What is the molecular formula of AN-038/12879002?
The molecular formula of AN-038/12879002 is C15H16N2O3S2.
What is the molecular weight of AN-038/12879002?
The molecular weight of AN-038/12879002 is 336.06 g/mol.
Where can I buy AN-038/12879002?
You can request a quote for AN-038/12879002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-038/12879002?
Yes, KEHONG BIO provides custom synthesis services for AN-038/12879002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.