C29H37Cl2FN4O4.ClH
TL;DR: C29H37Cl2FN4O4.ClH (CAS 35849-47-9) is a chemical compound with molecular formula C29H38Cl3FN4O4 and molecular weight 630.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-[[(2S)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(4-fluorophenyl)propanoate;hydrochloride
Also Known As: EINECS 252-756-8, Ethyl N-(3-(bis(2-chloroethyl)amino)-3-phenyl-N-L-prolyl-L-alanyl)-4-fluoro-3-phenyl-L-alaninate monohydrochloride, ETHYL N-[3-[BIS(2-CHLOROETHYL)AMINO]-3-PHENYL-N-L-PROLYL-L-ALANYL]-4-FLUORO-3-PHENYL-L-ALANINATE MONOHYDROCHLORIDE, ethylN-[3-[bis amino]-3-phenyl-N-L-prolyl-L-alanyl]-4-fluoro-3-phenyl-L-alaninatemonohydrochloride
| Molecular Formula | C29H38Cl3FN4O4 |
|---|---|
| Molecular Weight | 630.19 g/mol |
| LogP | 3.6014 |
| Topological Polar Surface Area | 99.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 630.1943 |
| Heavy Atoms | 41 |
| Complexity | 1113.4954 |
Chemical Identifiers
| CAS Number | 35849-47-9 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC=C(C=C1)F)NC(=O)[C@H](CC2=CC(=CC=C2)N(CCCl)CCCl)NC(=O)[C@@H]3CCCN3.Cl |
Product Overview
C29H37Cl2FN4O4.ClH (CAS 35849-47-9), with molecular formula C29H38Cl3FN4O4 and molecular weight 630.19 g/mol. IUPAC: ethyl (2S)-2-[[(2S)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(4-fluorophenyl)propanoate;hydrochloride.
Chemical Property Profile of C29H37Cl2FN4O4.ClH
Property Insights of C29H37Cl2FN4O4.ClH
The XLogP value of 3.6014 indicates that C29H37Cl2FN4O4.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.77 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H37Cl2FN4O4.ClH. Following Lipinski's Rule of Five, C29H37Cl2FN4O4.ClH has 3 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 C29H37Cl2FN4O4.ClH?
The CAS number of C29H37Cl2FN4O4.ClH is 35849-47-9.
What is the molecular formula of C29H37Cl2FN4O4.ClH?
The molecular formula of C29H37Cl2FN4O4.ClH is C29H38Cl3FN4O4.
What is the molecular weight of C29H37Cl2FN4O4.ClH?
The molecular weight of C29H37Cl2FN4O4.ClH is 630.19 g/mol.
Where can I buy C29H37Cl2FN4O4.ClH?
You can request a quote for C29H37Cl2FN4O4.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H37Cl2FN4O4.ClH?
Yes, KEHONG BIO provides custom synthesis services for C29H37Cl2FN4O4.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.