AB01286838-01
TL;DR: AB01286838-01 (CAS 372087-89-3) is a chemical compound with molecular formula C22H31N5OS and molecular weight 413.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(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-yl)-N',N'-dimethylethane-1,2-diamine
Also Known As: AB01286838-01, AB01286838-03, N'-(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-yl)-N,N-dimethylethane-1,2-diamine, N-(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-YL)-N-[2-(DIMETHYLAMINO)ETHYL]AMINE, N1-(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-yl)-N2,N2-dimethylethane-1,2-diamine
| Molecular Formula | C22H31N5OS |
|---|---|
| Molecular Weight | 413.22 g/mol |
| LogP | 4.4069 |
| Topological Polar Surface Area | 63.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.22495 |
| Heavy Atoms | 29 |
| Complexity | 1027.1278 |
Chemical Identifiers
| CAS Number | 372087-89-3 |
|---|---|
| SMILES | CCCCC1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC=N4)NCCN(C)C |
Product Overview
AB01286838-01 (CAS 372087-89-3), with molecular formula C22H31N5OS and molecular weight 413.22 g/mol. IUPAC: N-(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-yl)-N',N'-dimethylethane-1,2-diamine.
Chemical Property Profile of AB01286838-01
Property Insights of AB01286838-01
The XLogP value of 4.4069 indicates that AB01286838-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01286838-01. Following Lipinski's Rule of Five, AB01286838-01 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 AB01286838-01?
The CAS number of AB01286838-01 is 372087-89-3.
What is the molecular formula of AB01286838-01?
The molecular formula of AB01286838-01 is C22H31N5OS.
What is the molecular weight of AB01286838-01?
The molecular weight of AB01286838-01 is 413.22 g/mol.
Where can I buy AB01286838-01?
You can request a quote for AB01286838-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01286838-01?
Yes, KEHONG BIO provides custom synthesis services for AB01286838-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.