BAS 12411456
TL;DR: BAS 12411456 (CAS 845804-98-0) is a chemical compound with molecular formula C18H22N4O2S and molecular weight 358.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methoxypropyl)-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-amine
Also Known As: BAS 12411456, N-(3-methoxypropyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine, N-(3-methoxypropyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine, N-(8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL)-N-(3-METHOXYPROPYL)AMINE
| Molecular Formula | C18H22N4O2S |
|---|---|
| Molecular Weight | 358.15 g/mol |
| LogP | 3.5392 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.14636 |
| Heavy Atoms | 25 |
| Complexity | 922.2164 |
Chemical Identifiers
| CAS Number | 845804-98-0 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C4=C(S3)C(=NC=N4)NCCCOC)C |
Product Overview
BAS 12411456 (CAS 845804-98-0), with molecular formula C18H22N4O2S and molecular weight 358.15 g/mol. IUPAC: N-(3-methoxypropyl)-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-amine.
Chemical Property Profile of BAS 12411456
Property Insights of BAS 12411456
The XLogP value of 3.5392 indicates that BAS 12411456 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12411456. Following Lipinski's Rule of Five, BAS 12411456 has 1 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 BAS 12411456?
The CAS number of BAS 12411456 is 845804-98-0.
What is the molecular formula of BAS 12411456?
The molecular formula of BAS 12411456 is C18H22N4O2S.
What is the molecular weight of BAS 12411456?
The molecular weight of BAS 12411456 is 358.15 g/mol.
Where can I buy BAS 12411456?
You can request a quote for BAS 12411456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12411456?
Yes, KEHONG BIO provides custom synthesis services for BAS 12411456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.