![(E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine structure](/static/products/835/835912-40-8.png)
(E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
TL;DR: (E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 835912-40-8) is a chemical compound with molecular formula C19H20ClN3S2 and molecular weight 389.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-[(E)-3-chlorobut-2-enyl]sulfanyl-7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
Also Known As: (E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 7-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C19H20ClN3S2 |
|---|---|
| Molecular Weight | 389.08 g/mol |
| LogP | 6.0863 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.0787 |
| Heavy Atoms | 25 |
| Complexity | 987.40234 |
Chemical Identifiers
| CAS Number | 835912-40-8 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C3=C1CCC3)C4=C(S2)C(=NC=N4)SC/C=C(\C)/Cl |
Product Overview
(E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 835912-40-8), with molecular formula C19H20ClN3S2 and molecular weight 389.08 g/mol. IUPAC: 12-[(E)-3-chlorobut-2-enyl]sulfanyl-7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene.
Chemical Property Profile of (E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Property Insights of (E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
The XLogP value of 6.0863 indicates that (E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, (E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The CAS number of (E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 835912-40-8.
What is the molecular formula of (E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular formula of (E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is C19H20ClN3S2.
What is the molecular weight of (E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular weight of (E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 389.08 g/mol.
Where can I buy (E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
You can request a quote for (E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for (E)-7-((3-chlorobut-2-en-1-yl)thio)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.