S 30972-1
TL;DR: S 30972-1 (CAS 209617-63-0) is a chemical compound with molecular formula C27H32Cl2N4O5 and molecular weight 562.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl]oxy-5-oxopentanoic acid;dihydrochloride
Also Known As: S 30972-1, S30972-1, Pentanedioic acid, mono(1-(((2-(dimethylamino)ethyl)amino)carbonyl)-5,6-dimethyl-6H-pyrido(4,3-b)carbazol-9-yl) ester, dihydrochloride, 5-[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl]oxy-5-oxopentanoic acid;dihydrochloride, 5-[(1-{[2-(Dimethylamino)ethyl]carbamoyl}-5,6-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-5-oxopentanoic acid--hydrogen chloride (1/2)
| Molecular Formula | C27H32Cl2N4O5 |
|---|---|
| Molecular Weight | 562.17 g/mol |
| LogP | 4.48342 |
| Topological Polar Surface Area | 113.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 562.175 |
| Heavy Atoms | 38 |
| Complexity | 1499.915 |
Chemical Identifiers
| CAS Number | 209617-63-0 |
|---|---|
| SMILES | CC1=C2C=CN=C(C2=CC3=C1N(C4=C3C=C(C=C4)OC(=O)CCCC(=O)O)C)C(=O)NCCN(C)C.Cl.Cl |
Product Overview
S 30972-1 (CAS 209617-63-0), with molecular formula C27H32Cl2N4O5 and molecular weight 562.17 g/mol. IUPAC: 5-[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl]oxy-5-oxopentanoic acid;dihydrochloride.
Chemical Property Profile of S 30972-1
Property Insights of S 30972-1
The XLogP value of 4.48342 indicates that S 30972-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.76 Ų falls within the moderate polarity range, balancing permeability and solubility for S 30972-1. Following Lipinski's Rule of Five, S 30972-1 has 2 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 S 30972-1?
The CAS number of S 30972-1 is 209617-63-0.
What is the molecular formula of S 30972-1?
The molecular formula of S 30972-1 is C27H32Cl2N4O5.
What is the molecular weight of S 30972-1?
The molecular weight of S 30972-1 is 562.17 g/mol.
Where can I buy S 30972-1?
You can request a quote for S 30972-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S 30972-1?
Yes, KEHONG BIO provides custom synthesis services for S 30972-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.