ChemDiv3_003856
TL;DR: ChemDiv3_003856 (CAS 330826-86-3) is a chemical compound with molecular formula C14H15N5OS and molecular weight 301.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-yl)hydrazine
Also Known As: ChemDiv3_003856, BAS 02747767, IDI1_021766, BRD-K54364745-001-01-8, 4-hydrazinyl-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C14H15N5OS |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.09973 |
| Heavy Atoms | 21 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 330826-86-3 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C4=C(S3)C(=NC=N4)NN)C |
| InChIKey | VSGZCGCVBDIEAW-UHFFFAOYSA-N |
Product Overview
ChemDiv3_003856 (CAS 330826-86-3), with molecular formula C14H15N5OS and molecular weight 301.10 g/mol. IUPAC: (5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-yl)hydrazine.
Chemical Property Profile of ChemDiv3_003856
Property Insights of ChemDiv3_003856
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_003856. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003856. Following Lipinski's Rule of Five, ChemDiv3_003856 has 2 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 ChemDiv3_003856?
The CAS number of ChemDiv3_003856 is 330826-86-3.
What is the molecular formula of ChemDiv3_003856?
The molecular formula of ChemDiv3_003856 is C14H15N5OS.
What is the molecular weight of ChemDiv3_003856?
The molecular weight of ChemDiv3_003856 is 301.10 g/mol.
Where can I buy ChemDiv3_003856?
You can request a quote for ChemDiv3_003856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003856?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.