Cambridge id 6638326
TL;DR: Cambridge id 6638326 (CAS 430468-15-8) is a chemical compound with molecular formula C22H22N2O4S2 and molecular weight 442.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethylsulfanyl)-12,12-dimethyl-4-prop-2-enyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: AJ-292/40706689, 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6,6-dimethyl-3-prop-2-enyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one, 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 3-allyl-2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 3-allyl-2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C22H22N2O4S2 |
|---|---|
| Molecular Weight | 442.10 g/mol |
| LogP | 4.5163 |
| Topological Polar Surface Area | 62.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.1021 |
| Heavy Atoms | 30 |
| Complexity | 1212.0485 |
Chemical Identifiers
| CAS Number | 430468-15-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC4=CC5=C(C=C4)OCO5)CC=C)C |
Product Overview
Cambridge id 6638326 (CAS 430468-15-8), with molecular formula C22H22N2O4S2 and molecular weight 442.10 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-12,12-dimethyl-4-prop-2-enyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of Cambridge id 6638326
Property Insights of Cambridge id 6638326
The XLogP value of 4.5163 indicates that Cambridge id 6638326 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Cambridge id 6638326. Following Lipinski's Rule of Five, Cambridge id 6638326 has 0 hydrogen bond donor(s) and 7 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 6638326?
The CAS number of Cambridge id 6638326 is 430468-15-8.
What is the molecular formula of Cambridge id 6638326?
The molecular formula of Cambridge id 6638326 is C22H22N2O4S2.
What is the molecular weight of Cambridge id 6638326?
The molecular weight of Cambridge id 6638326 is 442.10 g/mol.
Where can I buy Cambridge id 6638326?
You can request a quote for Cambridge id 6638326 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 6638326?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 6638326 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.