(C11-H14-Cl-N-O.C10-H10-N2.C6-H7-N)x-
TL;DR: (C11-H14-Cl-N-O.C10-H10-N2.C6-H7-N)x- (CAS 71477-87-7) is a chemical compound with molecular formula C27H31ClN4O and molecular weight 462.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-chloroethyl(ethyl)amino]benzaldehyde;2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole;4-methylpyridine
Also Known As: (C11-H14-Cl-N-O.C10-H10-N2.C6-H7-N)x-, Benzaldehyde, 4-[(2-chloroethyl)ethylamino]-, polymer with 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole and 4-methylpyridine, 4-[2-chloroethyl(ethyl)amino]benzaldehyde; 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole; 4-methylpyridine, Benzaldehyde, 4-((2-chloroethyl)ethylamino)-, polymer with 2,3-dihydro-1H-pyrrolo(1,2-a)benzimidazole and 4-methylpyridine
| Molecular Formula | C27H31ClN4O |
|---|---|
| Molecular Weight | 462.22 g/mol |
| LogP | 5.93672 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.21863 |
| Heavy Atoms | 33 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 71477-87-7 |
|---|---|
| SMILES | CCN(CCCl)C1=CC=C(C=C1)C=O.CC1=CC=NC=C1.C1CC2=NC3=CC=CC=C3N2C1 |
| InChIKey | OCRVUYHCPABYED-UHFFFAOYSA-N |
Product Overview
(C11-H14-Cl-N-O.C10-H10-N2.C6-H7-N)x- (CAS 71477-87-7), with molecular formula C27H31ClN4O and molecular weight 462.22 g/mol. IUPAC: 4-[2-chloroethyl(ethyl)amino]benzaldehyde;2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole;4-methylpyridine.
Chemical Property Profile of (C11-H14-Cl-N-O.C10-H10-N2.C6-H7-N)x-
Property Insights of (C11-H14-Cl-N-O.C10-H10-N2.C6-H7-N)x-
The XLogP value of 5.93672 indicates that (C11-H14-Cl-N-O.C10-H10-N2.C6-H7-N)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.0 Ų, (C11-H14-Cl-N-O.C10-H10-N2.C6-H7-N)x- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (C11-H14-Cl-N-O.C10-H10-N2.C6-H7-N)x- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C11-H14-Cl-N-O.C10-H10-N2.C6-H7-N)x-?
The CAS number of (C11-H14-Cl-N-O.C10-H10-N2.C6-H7-N)x- is 71477-87-7.
What is the molecular formula of (C11-H14-Cl-N-O.C10-H10-N2.C6-H7-N)x-?
The molecular formula of (C11-H14-Cl-N-O.C10-H10-N2.C6-H7-N)x- is C27H31ClN4O.
What is the molecular weight of (C11-H14-Cl-N-O.C10-H10-N2.C6-H7-N)x-?
The molecular weight of (C11-H14-Cl-N-O.C10-H10-N2.C6-H7-N)x- is 462.22 g/mol.
Where can I buy (C11-H14-Cl-N-O.C10-H10-N2.C6-H7-N)x-?
You can request a quote for (C11-H14-Cl-N-O.C10-H10-N2.C6-H7-N)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C11-H14-Cl-N-O.C10-H10-N2.C6-H7-N)x-?
Yes, KEHONG BIO provides custom synthesis services for (C11-H14-Cl-N-O.C10-H10-N2.C6-H7-N)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.