C25H31N5O2S
TL;DR: C25H31N5O2S (CAS 847040-13-5) is a chemical compound with molecular formula C25H31N5O2S and molecular weight 465.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-diethyl-N-[8-(furan-2-yl)-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]propane-1,3-diamine
Also Known As: N,N-diethyl-N'-[5-(furan-2-yl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine, N1,N1-diethyl-N3-(5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)propane-1,3-diamine
| Molecular Formula | C25H31N5O2S |
|---|---|
| Molecular Weight | 465.22 g/mol |
| LogP | 5.4946 |
| Topological Polar Surface Area | 76.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.21985 |
| Heavy Atoms | 33 |
| Complexity | 1261.2693 |
Chemical Identifiers
| CAS Number | 847040-13-5 |
|---|---|
| SMILES | CCN(CC)CCCNC1=NC=NC2=C1SC3=C2C4=C(COC(C4)(C)C)C(=N3)C5=CC=CO5 |
Product Overview
C25H31N5O2S (CAS 847040-13-5), with molecular formula C25H31N5O2S and molecular weight 465.22 g/mol. IUPAC: N',N'-diethyl-N-[8-(furan-2-yl)-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]propane-1,3-diamine.
Chemical Property Profile of C25H31N5O2S
Property Insights of C25H31N5O2S
The XLogP value of 5.4946 indicates that C25H31N5O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.31 Ų falls within the moderate polarity range, balancing permeability and solubility for C25H31N5O2S. Following Lipinski's Rule of Five, C25H31N5O2S has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C25H31N5O2S?
The CAS number of C25H31N5O2S is 847040-13-5.
What is the molecular formula of C25H31N5O2S?
The molecular formula of C25H31N5O2S is C25H31N5O2S.
What is the molecular weight of C25H31N5O2S?
The molecular weight of C25H31N5O2S is 465.22 g/mol.
Where can I buy C25H31N5O2S?
You can request a quote for C25H31N5O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H31N5O2S?
Yes, KEHONG BIO provides custom synthesis services for C25H31N5O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.