Pigment Red 81:2
TL;DR: Pigment Red 81:2 (CAS 75627-12-2) is a chemical compound with molecular formula C27H30N2O3 and molecular weight 430.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate
Also Known As: Pigment Red 81:2, EINECS 278-270-6, Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatesilicate, methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate, Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, molybdatesilicate
| Molecular Formula | C27H30N2O3 |
|---|---|
| Molecular Weight | 430.23 g/mol |
| LogP | 5.57882 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.22565 |
| Heavy Atoms | 32 |
| Complexity | 1171.4191 |
Chemical Identifiers
| CAS Number | 75627-12-2 |
|---|---|
| SMILES | CCNC1=CC2=C(C=C1C)C(=C3CC(=C(C=C3O2)NCC)C)C4=CC=CC=C4C(=O)OC |
Product Overview
Pigment Red 81:2 (CAS 75627-12-2), with molecular formula C27H30N2O3 and molecular weight 430.23 g/mol. IUPAC: methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate.
Chemical Property Profile of Pigment Red 81:2
Property Insights of Pigment Red 81:2
The XLogP value of 5.57882 indicates that Pigment Red 81:2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, Pigment Red 81:2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pigment Red 81:2 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pigment Red 81:2?
The CAS number of Pigment Red 81:2 is 75627-12-2.
What is the molecular formula of Pigment Red 81:2?
The molecular formula of Pigment Red 81:2 is C27H30N2O3.
What is the molecular weight of Pigment Red 81:2?
The molecular weight of Pigment Red 81:2 is 430.23 g/mol.
Where can I buy Pigment Red 81:2?
You can request a quote for Pigment Red 81:2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pigment Red 81:2?
Yes, KEHONG BIO provides custom synthesis services for Pigment Red 81:2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.