DC1
TL;DR: DC1 (CAS 169901-27-3) is a chemical compound with molecular formula C34H28ClN5O4S and molecular weight 637.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-5-(3-sulfanylpropanoylamino)-1H-indole-2-carboxamide
Also Known As: DC1, EX-A12333, (S)-N-(2-(1-(Chloromethyl)-5-hydroxy-2,3-dihydro-1H-benzo[e]indole-3-carbonyl)-1H-indol-5-yl)-5-(3-mercaptopropanamido)-1H-indole-2-carboxamide, N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-5-(3-sulfanylpropanoylamino)-1H-indole-2-carboxamide, N-{2-[(1S)-1-(chloromethyl)-5-hydroxy-1H,2H,3H-benzo[e]indole-3-carbonyl]-1H-indol-5-yl}-5-(3-sulfanylpropanamido)-1H-indole-2-carboxamide
| Molecular Formula | C34H28ClN5O4S |
|---|---|
| Molecular Weight | 637.15 g/mol |
| LogP | 7.0015 |
| Topological Polar Surface Area | 130.32 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 637.155 |
| Heavy Atoms | 45 |
| Complexity | 2155.6594 |
Chemical Identifiers
| CAS Number | 169901-27-3 |
|---|---|
| SMILES | C1[C@H](C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=C(N5)C=CC(=C6)NC(=O)CCS)C=C(C7=CC=CC=C72)O)CCl |
Product Overview
DC1 (CAS 169901-27-3), with molecular formula C34H28ClN5O4S and molecular weight 637.15 g/mol. IUPAC: N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-5-(3-sulfanylpropanoylamino)-1H-indole-2-carboxamide.
Chemical Property Profile of DC1
Property Insights of DC1
The XLogP value of 7.0015 indicates that DC1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.32 Ų falls within the moderate polarity range, balancing permeability and solubility for DC1. Following Lipinski's Rule of Five, DC1 has 6 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 DC1?
The CAS number of DC1 is 169901-27-3.
What is the molecular formula of DC1?
The molecular formula of DC1 is C34H28ClN5O4S.
What is the molecular weight of DC1?
The molecular weight of DC1 is 637.15 g/mol.
Where can I buy DC1?
You can request a quote for DC1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DC1?
Yes, KEHONG BIO provides custom synthesis services for DC1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.