ChemDiv3_005599
TL;DR: ChemDiv3_005599 (CAS 372175-04-7) is a chemical compound with molecular formula C25H28N4OS and molecular weight 432.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-8-butyl-4,4-dimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
Also Known As: ChemDiv3_005599, IDI1_023509, BRD-K89937668-001-01-3, N-benzyl-5-butyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine, N-benzyl-5-butyl-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
| Molecular Formula | C25H28N4OS |
|---|---|
| Molecular Weight | 432.20 g/mol |
| LogP | 6.0455 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.1984 |
| Heavy Atoms | 31 |
| Complexity | 1232.9719 |
Chemical Identifiers
| CAS Number | 372175-04-7 |
|---|---|
| SMILES | CCCCC1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC=N4)NCC5=CC=CC=C5 |
Product Overview
ChemDiv3_005599 (CAS 372175-04-7), with molecular formula C25H28N4OS and molecular weight 432.20 g/mol. IUPAC: N-benzyl-8-butyl-4,4-dimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine.
Chemical Property Profile of ChemDiv3_005599
Property Insights of ChemDiv3_005599
The XLogP value of 6.0455 indicates that ChemDiv3_005599 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.93 Ų, ChemDiv3_005599 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_005599 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_005599?
The CAS number of ChemDiv3_005599 is 372175-04-7.
What is the molecular formula of ChemDiv3_005599?
The molecular formula of ChemDiv3_005599 is C25H28N4OS.
What is the molecular weight of ChemDiv3_005599?
The molecular weight of ChemDiv3_005599 is 432.20 g/mol.
Where can I buy ChemDiv3_005599?
You can request a quote for ChemDiv3_005599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005599?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.