RefChem:83618
TL;DR: RefChem:83618 (CAS 100063-56-7) is a chemical compound with molecular formula C22H35N3O5 and molecular weight 421.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[hydroxymethyl-[2-(7-methyloctanoylamino)ethyl]amino]ethylcarbamoyl]benzoic acid
Also Known As: 2-(((2-((Hydroxymethyl)(2-((1-oxoisononyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid, 2-[[[2-[(hydroxymethyl)[2-[(1-oxoisononyl)amino]ethyl]amino]ethyl]amino]carbonyl]benzoic acid, J3.791.150J, 2-[2-[hydroxymethyl-[2-(7-methyloctanoylamino)ethyl]amino]ethylcarbamoyl]benzoic acid, 2-[(2-{(Hydroxymethyl)[2-(7-methyloctanamido)ethyl]amino}ethyl)carbamoyl]benzoic acid
| Molecular Formula | C22H35N3O5 |
|---|---|
| Molecular Weight | 421.26 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 421.25766 |
| Heavy Atoms | 30 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 100063-56-7 |
|---|---|
| SMILES | CC(C)CCCCCC(=O)NCCN(CCNC(=O)C1=CC=CC=C1C(=O)O)CO |
| InChIKey | KXWBMYVIQBCGJO-UHFFFAOYSA-N |
Product Overview
RefChem:83618 (CAS 100063-56-7), with molecular formula C22H35N3O5 and molecular weight 421.26 g/mol. IUPAC: 2-[2-[hydroxymethyl-[2-(7-methyloctanoylamino)ethyl]amino]ethylcarbamoyl]benzoic acid.
Chemical Property Profile of RefChem:83618
Property Insights of RefChem:83618
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:83618. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:83618. Following Lipinski's Rule of Five, RefChem:83618 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 RefChem:83618?
The CAS number of RefChem:83618 is 100063-56-7.
What is the molecular formula of RefChem:83618?
The molecular formula of RefChem:83618 is C22H35N3O5.
What is the molecular weight of RefChem:83618?
The molecular weight of RefChem:83618 is 421.26 g/mol.
Where can I buy RefChem:83618?
You can request a quote for RefChem:83618 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:83618?
Yes, KEHONG BIO provides custom synthesis services for RefChem:83618 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.