![12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene structure](/static/products/7309/730997-86-1.webp)
12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene
TL;DR: 12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene (CAS 730997-86-1) is a chemical compound with molecular formula C14H16ClN3OS and molecular weight 309.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-yl)methyl]morpholine
Also Known As: 12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene, 4-[(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-yl)methyl]morpholine, 4-chloro-2-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine, 4-Chloro-6,7-dihydro-2-(4-morpholinylmethyl)-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine, 12-chloro-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene
| Molecular Formula | C14H16ClN3OS |
|---|---|
| Molecular Weight | 309.07 g/mol |
| LogP | 2.6656 |
| Topological Polar Surface Area | 38.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.07025 |
| Heavy Atoms | 20 |
| Complexity | 651.3967 |
Chemical Identifiers
| CAS Number | 730997-86-1 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=NC(=N3)CN4CCOCC4)Cl |
Product Overview
12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene (CAS 730997-86-1), with molecular formula C14H16ClN3OS and molecular weight 309.07 g/mol. IUPAC: 4-[(12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-10-yl)methyl]morpholine.
Chemical Property Profile of 12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene
Property Insights of 12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene
The XLogP value of 2.6656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene. With a topological polar surface area (TPSA) of 38.25 Ų, 12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene has 0 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 12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene?
The CAS number of 12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene is 730997-86-1.
What is the molecular formula of 12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene?
The molecular formula of 12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene is C14H16ClN3OS.
What is the molecular weight of 12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene?
The molecular weight of 12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene is 309.07 g/mol.
Where can I buy 12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene?
You can request a quote for 12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene?
Yes, KEHONG BIO provides custom synthesis services for 12-Chloro-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.