Cambridge id 6945777
TL;DR: Cambridge id 6945777 (CAS 384353-02-0) is a chemical compound with molecular formula C21H24N4O3S2 and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(12-amino-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Also Known As: AF-399/40920871, 2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide, 2-((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3,4-dimethoxyphenethyl)acetamide, 2-(4-amino(5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophen-2-ylthio)) -N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
| Molecular Formula | C21H24N4O3S2 |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 3.2304 |
| Topological Polar Surface Area | 99.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.129 |
| Heavy Atoms | 30 |
| Complexity | 1083.789 |
Chemical Identifiers
| CAS Number | 384353-02-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC(=C3C4=C(CCC4)SC3=N2)N)OC |
Product Overview
Cambridge id 6945777 (CAS 384353-02-0), with molecular formula C21H24N4O3S2 and molecular weight 444.13 g/mol. IUPAC: 2-[(12-amino-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
Chemical Property Profile of Cambridge id 6945777
Property Insights of Cambridge id 6945777
The XLogP value of 3.2304 indicates that Cambridge id 6945777 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Cambridge id 6945777. Following Lipinski's Rule of Five, Cambridge id 6945777 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 Cambridge id 6945777?
The CAS number of Cambridge id 6945777 is 384353-02-0.
What is the molecular formula of Cambridge id 6945777?
The molecular formula of Cambridge id 6945777 is C21H24N4O3S2.
What is the molecular weight of Cambridge id 6945777?
The molecular weight of Cambridge id 6945777 is 444.13 g/mol.
Where can I buy Cambridge id 6945777?
You can request a quote for Cambridge id 6945777 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 6945777?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 6945777 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.