Mdl 28302
TL;DR: Mdl 28302 (CAS 1813-22-5) is a chemical compound with molecular formula C23H40N4S2 and molecular weight 436.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-bis[3-(thiophen-3-ylmethylamino)propyl]heptane-1,7-diamine
Also Known As: Mdl 28302, KST-1B1174, 1,7-Heptanediamine, N,N'-bis(3-((3-thienylmethyl)amino)propyl)-, N,N'-bis[3-(thiophen-3-ylmethylamino)propyl]heptane-1,7-diamine, 1,19-BIS(THIOPHEN-3-YL)-2,6,14,18-TETRAAZANONADECANE
| Molecular Formula | C23H40N4S2 |
|---|---|
| Molecular Weight | 436.27 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 436.26944 |
| Heavy Atoms | 29 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 1813-22-5 |
|---|---|
| SMILES | C1=CSC=C1CNCCCNCCCCCCCNCCCNCC2=CSC=C2 |
| InChIKey | JXJKBKPUXGTMFD-UHFFFAOYSA-N |
Product Overview
Mdl 28302 (CAS 1813-22-5), with molecular formula C23H40N4S2 and molecular weight 436.27 g/mol. IUPAC: N,N'-bis[3-(thiophen-3-ylmethylamino)propyl]heptane-1,7-diamine.
Chemical Property Profile of Mdl 28302
Property Insights of Mdl 28302
The XLogP value of 3.5 indicates that Mdl 28302 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mdl 28302. Following Lipinski's Rule of Five, Mdl 28302 has 4 hydrogen bond donor(s) and 6 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 Mdl 28302?
The CAS number of Mdl 28302 is 1813-22-5.
What is the molecular formula of Mdl 28302?
The molecular formula of Mdl 28302 is C23H40N4S2.
What is the molecular weight of Mdl 28302?
The molecular weight of Mdl 28302 is 436.27 g/mol.
Where can I buy Mdl 28302?
You can request a quote for Mdl 28302 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 28302?
Yes, KEHONG BIO provides custom synthesis services for Mdl 28302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.