C29H31Cl2N5O
TL;DR: C29H31Cl2N5O (CAS 69837-10-1) is a chemical compound with molecular formula C29H31Cl2N5O and molecular weight 535.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-[bis(2-chloroethyl)amino]phenyl]iminomethyl]-3,6-bis(dimethylamino)acridine-4-carbaldehyde
Also Known As: 5-[[4-[bis(2-chloroethyl)amino]phenyl]iminomethyl]-3,6-bis(dimethylamino)acridine-4-carbaldehyde, Acridine-4-carboxaldehyde, 3,6-bis(dimethylamino)-5-((p-((bis(2-chloroethyl))amino)phenyl)iminomethyl)-, ACRIDINE-4-CARBOXALDEHYDE, 3,6-BIS(DIMETHYLAMINO)-5-((p-((BIS(2-CHLOROETHYL))AMI, 5-[({4-[BIS(2-CHLOROETHYL)AMINO]PHENYL}IMINO)METHYL]-3,6-BIS(DIMETHYLAMINO)ACRIDINE-4-CARBALDEHYDE, 5-[[[4-[Bis(2-chloroethyl)amino]phenyl]imino]methyl]-3,6-bis(dimethylamino)-4-acridinecarbaldehyde
| Molecular Formula | C29H31Cl2N5O |
|---|---|
| Molecular Weight | 535.19 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 535.19055 |
| Heavy Atoms | 37 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 69837-10-1 |
|---|---|
| SMILES | CN(C)C1=C(C2=NC3=C(C=CC(=C3C=O)N(C)C)C=C2C=C1)C=NC4=CC=C(C=C4)N(CCCl)CCCl |
| InChIKey | QPBOLGKUCZUGLH-UHFFFAOYSA-N |
Product Overview
C29H31Cl2N5O (CAS 69837-10-1), with molecular formula C29H31Cl2N5O and molecular weight 535.19 g/mol. IUPAC: 5-[[4-[bis(2-chloroethyl)amino]phenyl]iminomethyl]-3,6-bis(dimethylamino)acridine-4-carbaldehyde.
Chemical Property Profile of C29H31Cl2N5O
Property Insights of C29H31Cl2N5O
The XLogP value of 5.8 indicates that C29H31Cl2N5O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, C29H31Cl2N5O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C29H31Cl2N5O has 0 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 C29H31Cl2N5O?
The CAS number of C29H31Cl2N5O is 69837-10-1.
What is the molecular formula of C29H31Cl2N5O?
The molecular formula of C29H31Cl2N5O is C29H31Cl2N5O.
What is the molecular weight of C29H31Cl2N5O?
The molecular weight of C29H31Cl2N5O is 535.19 g/mol.
Where can I buy C29H31Cl2N5O?
You can request a quote for C29H31Cl2N5O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H31Cl2N5O?
Yes, KEHONG BIO provides custom synthesis services for C29H31Cl2N5O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.