ChemDiv3_003174
TL;DR: ChemDiv3_003174 (CAS 316358-49-3) is a chemical compound with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-5-hydrazinyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: ChemDiv3_003174, BAS 00609355, IDI1_021084, AE-848/31941046, 3-benzyl-2-hydrazino-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C18H20N4O2S |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 2.6432 |
| Topological Polar Surface Area | 82.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.1307 |
| Heavy Atoms | 25 |
| Complexity | 991.719 |
Chemical Identifiers
| CAS Number | 316358-49-3 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)NN)CC4=CC=CC=C4)C |
Product Overview
ChemDiv3_003174 (CAS 316358-49-3), with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol. IUPAC: 4-benzyl-5-hydrazinyl-12,12-dimethyl-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 ChemDiv3_003174
Property Insights of ChemDiv3_003174
The XLogP value of 2.6432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_003174. The TPSA of 82.17 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003174. Following Lipinski's Rule of Five, ChemDiv3_003174 has 2 hydrogen bond donor(s) and 6 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 ChemDiv3_003174?
The CAS number of ChemDiv3_003174 is 316358-49-3.
What is the molecular formula of ChemDiv3_003174?
The molecular formula of ChemDiv3_003174 is C18H20N4O2S.
What is the molecular weight of ChemDiv3_003174?
The molecular weight of ChemDiv3_003174 is 356.13 g/mol.
Where can I buy ChemDiv3_003174?
You can request a quote for ChemDiv3_003174 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003174?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003174 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.